3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

C12H8ClN3O — CID 117142187

IUPAC3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESO=c1cccc2[nH]nc(-c3cccc(Cl)c3)n12
InChIInChI=1S/C12H8ClN3O/c13-9-4-1-3-8(7-9)12-15-14-10-5-2-6-11(17)16(10)12/h1-7,14H
InChIKeyUICGEBMMYYWFLB-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.34
Rot. Bonds1

About 3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (PubChem CID 117142187) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
PubChem CID117142187
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESO=c1cccc2[nH]nc(-c3cccc(Cl)c3)n12
InChIInChI=1S/C12H8ClN3O/c13-9-4-1-3-8(7-9)12-15-14-10-5-2-6-11(17)16(10)12/h1-7,14H
InChIKeyUICGEBMMYYWFLB-UHFFFAOYSA-N
XLogP2.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 105467310
2-(3-chlorophenyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 10540006
2-(3-chlorophenyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117133007
5-(3-chlorophenyl)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95923512
3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957060
3-(3-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 692215
3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 117142147
4-(3-chlorophenyl)-5-methylpyrazol-3-one
CID 23330088
2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 784601
6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one
CID 70804764
4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076
2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one
CID 123522555

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The IUPAC name of 3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (CID 117142187) is 3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The canonical SMILES for 3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is O=c1cccc2[nH]nc(-c3cccc(Cl)c3)n12.
What is the InChIKey of 3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The InChIKey is UICGEBMMYYWFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-9-4-1-3-8(7-9)12-15-14-10-5-2-6-11(17)16(10)12/h1-7,14H.
What are the key properties of 3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one has a molecular weight of 245.67 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is sourced from PubChem (CID 117142187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).