Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Nc1nc(-c2cc[nH]n2)c2nnn(Cc3cccc([N+](=O)[O-])c3)c2n1- InChIKey
ITVYFTNZQRXTRS-UHFFFAOYSA-N- Molecular formula
- C14H11N9O2
- Average molar mass
- 337.3 g/mol
- Monoisotopic mass
- 337.10357063
Names & identifiers
- Preferred name
- 3-[(3-nitrophenyl)methyl]-7-(1H-pyrazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
- IUPAC
- 3-[(3-nitrophenyl)methyl]-7-(1H-pyrazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
Names & synonyms
SCHEMBL4045757SCHEMBL13707441
Database identifiers
- PubChem CID
- 10131893
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 489
Related reactions
1 records
Compound notes
Loading…