Basic information
- Standard SMILES
CC1=CCN(C/C=C/c2cnn(-c3ncccn3)c2C)CC1.Cl- InChIKey
CDOZVXVBFUIFFA-WGCWOXMQSA-N- Molecular formula
- C17H22ClN5
- Average molar mass
- 331.8 g/mol
Names & identifiers
- Preferred name
- 1-[5-Methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-methyl-1,2,5,6-tetrahydro-1-pyridyl]-1-trans-propene hydrochloride
- IUPAC
- 2-[5-methyl-4-[(E)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]pyrazol-1-yl]pyrimidine;hydrochloride
Names & synonyms
SCHEMBL6962897CDOZVXVBFUIFFA-WGCWOXMQSA-N1-[5-Methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-methyl-1,2,5,6-tetrahydro-1-pyridyl]-1-trans-propene hydrochloride
Database identifiers
- PubChem CID
- 22097340
Properties
Computed structural properties
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Related reactions
1 records
Compound notes
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