7-[(2-Chlorophenyl)carbonyl]-3-(4-pyrimidinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

HCID 66599474
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Basic information

Standard SMILES
O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2ccncn2)C1
InChIKey
KEQYDJXUHRBNPO-UHFFFAOYSA-N
Molecular formula
C16H13ClN6O
Average molar mass
340.77 g/mol
Monoisotopic mass
340.0839368

Names & identifiers

Preferred name
7-[(2-Chlorophenyl)carbonyl]-3-(4-pyrimidinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
IUPAC
(2-chlorophenyl)-(3-pyrimidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Names & synonyms

SCHEMBL110570CHEMBL2218224KEQYDJXUHRBNPO-UHFFFAOYSA-N7-[(2-chlorophenyl)carbonyl]-3-(4-pyrimidinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

Database identifiers

PubChem CID
66599474
ChEMBL
CHEMBL2218224

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
76.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
24

Related reactions

1 records
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Compound notes

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