Search summary:
Session ID: 7ae56241b1b3bcaff4e86c76a648a0e1
Search Type: drug
Started at: 2009-12-09 08:59:41
Finished at: 2009-12-09 09:00:56
| Field | Result | Source |
|---|---|---|
| Name | ||
| 8-Azaadenine | NIST | |
| Drugbank ID | ||
| Not Available | Not Applicable | |
| Description | ||
| Not Available | Not Applicable | |
| Chemical Kingdom | ||
| Organic | BioSpider | |
| Chemical Class | ||
| Not Available | Not Applicable | |
| Chemical Species | ||
| aromatic compound | Checkmol | |
| heterocyclic compound | Checkmol | |
| primary amine | Checkmol | |
| primary aromatic amine | Checkmol | |
| Synonym | ||
| 1H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine | Pubchem | |
| 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine | NIST | |
| 1H-v-Triazolo(4,5-d)pyrimidin-7-amine | NIST | |
| 1H-v-Triazolo(4,5-d)pyrimidine, 7-amino- | NIST | |
| 1H-v-Triazolo(4,5-d)pyrimidine, 7-amino- (8CI) | Pubchem | |
| 1H-v-Triazolo[4,5-d]pyrimidine, 7-amino- | Pubchem | |
| 3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine | Pubchem | |
| 3H-N-Triazolo(4,5-d)pyrimidin-7-amine | NIST | |
| 3H-N-Triazolo[4,5-d]pyrimidin-7-amine | Pubchem | |
| 3H-[1,2,3]Triazolo[4,5-d]pyrimidin-7-amine | NIST | |
| 3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine (ACD/Name 4.0) | NCI | |
| 3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylamine (ACD/Name 4.0) | NCI | |
| 6-Amino-8-azapurine | NIST | |
| 7-Amino-1-v-triazolo(d)pyrimidine | NIST | |
| 7-Amino-1-v-triazolo[d]pyrimidine | Pubchem | |
| 7-Amino-1H-triazolo(4,5-d)pyrimidine | Pubchem | |
| 7-Amino-1H-v-triazolo(4,5-d)pyrimidine | NIST | |
| 7-Amino-v-triazolo(d)pyrimidine | NIST | |
| 7-Amino-v-triazolo[d]pyrimidine | Pubchem | |
| 8-Aza-6-aminopurine | Pubchem | |
| 8-Azapurine, 6-amino- | NIST | |
| A5883_SIGMA | Pubchem | |
| Adenine, 8-aza- | NIST | |
| {1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine} | NCI | |
| {1H-v-Triazolo[4,5-d]pyrimidine,} 7-amino- | NCI | |
| {3H-N-Triazolo[4,} 5-d\]pyrimidin-7-amine | NCI | |
| {7-Amino-1-v-triazolo[d]pyrimidine} | NCI | |
| {7-Amino-v-triazolo[d]pyrimidine} | NCI | |
| Brand Mixture | ||
| Not Available | Not Applicable | |
| CAS | ||
| 1123-54-2 | External | |
| InChI Identifier | ||
InChI=1/C4H3N6/c5-3-2-4(7-1-6-3)9-10-8-2/h1H,(H2,5,6,7,8,9,10) |
World Wide Molecular Matrix | |
| IUPAC | ||
| 2H-triazolo[4,5-d]pyrimidin-7-amine | PubChem | |
| Chemical Formula | ||
| C4H4N6 | PubChem | |
| Chemical Structure | ||
 |
PubChem | |
| Average Molecular Weight (g/mol) | ||
| 136.114760 | BioSpider | |
| Monoisotopic Molecular Weight (g/mol) | ||
| 136.049740 | BioSpider | |
| SMILES (Isomeric) | ||
n1c(c2nnnc2nc1)N |
ChemSpider | |
| SMILES (Canonical) | ||
C1=NC2=NNN=C2C(=N1)N |
PubChem | |
| Kegg Drug | ||
| Not Available | Not Applicable | |
| Kegg Compound | ||
| Not Available | Not Applicable | |
| Pubchem Compound ID | ||
| 70746 | PubChem | |
| Pubchem Substance ID | ||
| 10409881 | Pubchem | |
| 10504239 | Pubchem | |
| 15090914 | Pubchem | |
| 212925 | Pubchem | |
| 22388125 | Pubchem | |
| 24891030 | Pubchem | |
| 3182059 | Pubchem | |
| 3207000 | Pubchem | |
| 32852942 | Pubchem | |
| 36522354 | Pubchem | |
| 39910164 | Pubchem | |
| 43127154 | Pubchem | |
| 47317598 | Pubchem | |
| 47960140 | Pubchem | |
| 50057666 | Pubchem | |
| 543799 | Pubchem | |
| 56229750 | Pubchem | |
| 57317885 | Pubchem | |
| 57565966 | Pubchem | |
| 57639076 | Pubchem | |
| 6004927 | Pubchem | |
| 610467 | Pubchem | |
| 6261524 | Pubchem | |
| 71816947 | Pubchem | |
| 75234808 | Pubchem | |
| 81093029 | Pubchem | |
| 85083968 | Pubchem | |
| 85176169 | Pubchem | |
| OMIM ID | ||
| Not Available | Not Applicable | |
| ChEBI | ||
| Not Available | Not Applicable | |
| BioCyc | ||
| Not Available | Not Applicable | |
| PharmGKB | ||
| Not Available | Not Applicable | |
| HET ID | ||
| Not Available | Not Applicable | |
| DPD ID | ||
| Not Available | Not Applicable | |
| Rxlist Link | ||
| Not Available | Not Applicable | |
| Wikipedia | ||
| Not Available | Not Applicable | |
| Pdr Health Link | ||
| Not Available | Not Applicable | |
| Melting Point | ||
| > 300 oC | PhysProp | |
| State | ||
| Solid | BioSpider | |
| MSDS Link | ||
| Not Available | Not Applicable | |
| FDA Label | ||
| Not Available | Not Applicable | |
| Experimental Water Solubility | ||
| Not Available | Not Applicable | |
| Predicted Water Solubility | ||
| 11.8 mg/mL [Predicted by ALOGPS] | Alogps | |
| 28.1 mg/mL at 25 oC [MEYLAN,WM et al. (1996)] | PhysProp | |
| Experimental LogP | ||
| -0.96 [HANSCH,C ET AL. (1995)] | PhysProp | |
| Predicted LogP | ||
| -0.27 [Predicted by ALOGPS] | Alogps | |
| pKa | ||
| Not Available | Not Applicable | |
| SDF File | ||
| 1260374390.sdf | Pubchem | |
| Mol File | ||
| 1260374383.mol | Molconvert | |
| Pdb File | ||
| 1260374407.pdb | Molconvert | |
| Mass Spec File | ||
| Not Available | Not Applicable | |
| Associated Disorder | ||
| Not Available | Not Applicable | |
| Pathway | ||
| Not Available | Not Applicable | |
| Category | ||
| Not Available | Not Applicable | |
| ATC Code | ||
| Not Available | Not Applicable | |
| AHFS Code | ||
| Not Available | Not Applicable | |
| Schedule | ||
| Not Available | Not Applicable | |
| Indication | ||
| Not Available | Not Applicable | |
| Pharmacology | ||
| Not Available | Not Applicable | |
| Mechanism Of Action | ||
| Not Available | Not Applicable | |
| Absorption | ||
| Not Available | Not Applicable | |
| Protein Binding | ||
| Not Available | Not Applicable | |
| Half Life | ||
| Not Available | Not Applicable | |
| Biotransformation | ||
| Not Available | Not Applicable | |
| Toxicity | ||
| Not Available | Not Applicable | |
| Dosage | ||
| Not Available | Not Applicable | |
| Patient Information | ||
| Not Available | Not Applicable | |
| Interactions | ||
| Not Available | Not Applicable | |
| Contraindications | ||
| Not Available | Not Applicable | |
| Targets | ||
| Not Available | Not Applicable |