7-[(2,4-Dichloro-3-fluorophenyl)carbonyl]-3-(4-methyl-2-pyrimidinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1ccnc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2Cl)C3)n1- InChIKey
KFRVFKHOKZCSSU-UHFFFAOYSA-N- Molecular formula
- C17H13Cl2FN6O
- Average molar mass
- 407.2 g/mol
Names & identifiers
- Preferred name
- 7-[(2,4-Dichloro-3-fluorophenyl)carbonyl]-3-(4-methyl-2-pyrimidinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
- IUPAC
- (2,4-dichloro-3-fluorophenyl)-[3-(4-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Names & synonyms
SCHEMBL110165KFRVFKHOKZCSSU-UHFFFAOYSA-N7-[(2,4-dichloro-3-fluorophenyl)carbonyl]-3-(4-methyl-2-pyrimidinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Database identifiers
- PubChem CID
- 66599415
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 560
Related reactions
1 records
Compound notes
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