Basic information
- Standard SMILES
CC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(C)N1- InChIKey
BZMMZEUTUBQCMP-UHFFFAOYSA-N- Molecular formula
- C16H13N5
- Average molar mass
- 275.31 g/mol
- Monoisotopic mass
- 275.11709544
Names & identifiers
- Preferred name
- 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile
- IUPAC
- 4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Names & synonyms
SCHEMBL1583361BZMMZEUTUBQCMP-UHFFFAOYSA-N1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile
Database identifiers
- PubChem CID
- 24959104
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 573
Related reactions
1 records
Compound notes
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