7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C18H15ClN4O2 — CID 134790600

IUPAC7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(c1ccccc1)N1CCn2c(nn(-c3cccc(Cl)c3)c2=O)C1
InChIInChI=1S/C18H15ClN4O2/c19-14-7-4-8-15(11-14)23-18(25)22-10-9-21(12-16(22)20-23)17(24)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyJMQXPJVACYWPHM-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.34
Rot. Bonds2

About 7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134790600) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134790600
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(c1ccccc1)N1CCn2c(nn(-c3cccc(Cl)c3)c2=O)C1
InChIInChI=1S/C18H15ClN4O2/c19-14-7-4-8-15(11-14)23-18(25)22-10-9-21(12-16(22)20-23)17(24)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyJMQXPJVACYWPHM-UHFFFAOYSA-N
XLogP2.34
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

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Related Compounds

CID 134789477
CID 134789477
7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134792593
2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134789363
4-(3-chlorobenzoyl)-1-phenyl-1,4-diazepan-2-one
CID 110873861
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 42111101
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(3-chlorophenyl)-[4-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 55775453
7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134795240
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081736
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 24721482
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134790600) is 7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=C(c1ccccc1)N1CCn2c(nn(-c3cccc(Cl)c3)c2=O)C1.
What is the InChIKey of 7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is JMQXPJVACYWPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-14-7-4-8-15(11-14)23-18(25)22-10-9-21(12-16(22)20-23)17(24)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2.
What are the key properties of 7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 354.80 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134790600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).