4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile
Basic information
- CAS
121845-60-1- Standard SMILES
N#Cc1ccc(-c2nnc3ccncc3n2)cc1- InChIKey
KVYRBRIPUAHYGR-UHFFFAOYSA-N- Molecular formula
- C13H7N5
- Average molar mass
- 233.23 g/mol
- Monoisotopic mass
- 233.07014524
Names & identifiers
- Preferred name
- 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile
- IUPAC
- 4-pyrido[3,4-e][1,2,4]triazin-3-ylbenzonitrile
- English name
- 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile
- Molecular formula
- C13H7N5
- Molecular weight
- 233.23
Names & synonyms
121845-60-14-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile4-pyrido[3,4-e][1,2,4]triazin-3-ylbenzonitrile4-Pyrido(3,4-e)(1,2,4)triazin-3-yl-benzonitrile4-Pyrido[3,4-e][1,2,4]triazin-3-yl-benzonitrileCHEMBL79966DTXSID90153397
Database identifiers
- CAS
121845-60-1- PubChem CID
- 516609
- DTXSID
DTXSID90153397- ChEMBL
CHEMBL79966- Nikkaji
- J239.918K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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