Basic information
- Standard SMILES
COc1ccc(CN(c2nc(Cl)nn3c(C#N)cnc23)C2CC2)cc1- InChIKey
OBLFYSOGRKKRJY-UHFFFAOYSA-N- Molecular formula
- C17H15ClN6O
- Average molar mass
- 354.8 g/mol
- Monoisotopic mass
- 354.0995868
Names & identifiers
- Preferred name
- 2-Chloro-4-(cyclopropyl(4-methoxybenzyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
- IUPAC
- 2-chloro-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
Names & synonyms
SCHEMBL15409089OBLFYSOGRKKRJY-UHFFFAOYSA-N2-chloro-4-(cyclopropyl(4-methoxybenzyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
Database identifiers
- PubChem CID
- 86708477
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Related reactions
49 records
Compound notes
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