2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H10ClN3O — CID 115579341

IUPAC2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C13H10ClN3O/c14-11-5-3-4-10(8-11)9-17-13(18)16-7-2-1-6-12(16)15-17/h1-8H,9H2
InChIKeySNGGWVLGIKDYEQ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.20
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 115579341) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID115579341
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C13H10ClN3O/c14-11-5-3-4-10(8-11)9-17-13(18)16-7-2-1-6-12(16)15-17/h1-8H,9H2
InChIKeySNGGWVLGIKDYEQ-UHFFFAOYSA-N
XLogP2.20
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55763009
2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 24721482
2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid
CID 106698772
2-(4-chlorophenyl)sulfanyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide
CID 55703123
bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride
CID 160735622
4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]pyridine-2-carbothioamide
CID 63883470
ethyl 2-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]anilino]acetate
CID 119050040
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one chloride
CID 45114117
2-[(3-chloro-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618625
4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide
CID 60532335
(E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide
CID 98864202

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 115579341) is 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(Cc2cccc(Cl)c2)nc2ccccn12.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is SNGGWVLGIKDYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-11-5-3-4-10(8-11)9-17-13(18)16-7-2-1-6-12(16)15-17/h1-8H,9H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 259.70 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 115579341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).