Basic information
- Standard SMILES
N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(CN4CCOCC4)nn23)nc1- InChIKey
CKXXYAYISGMHNP-UHFFFAOYSA-N- Molecular formula
- C24H23Cl2N9O
- Average molar mass
- 524.4 g/mol
Names & identifiers
- Preferred name
- 6-[(2-{[7-(2,4-Dichlorophenyl)-2-(morpholin-4-ylmethyl)[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-amino}ethyl)amino]pyridine-3-carbonitrile
- IUPAC
- 6-[2-[[7-(2,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL3602205CKXXYAYISGMHNP-UHFFFAOYSA-N6-[(2-{[7-(2,4-Dichlorophenyl)-2-(morpholin-4-ylmethyl)[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-amino}ethyl)amino]pyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 59313124
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 750
Related reactions
3 records
Compound notes
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