3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one

C13H10ClN3O — CID 117144531

IUPAC3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
SMILESO=c1ccn2c(Cc3ccccc3Cl)n[nH]c2c1
InChIInChI=1S/C13H10ClN3O/c14-11-4-2-1-3-9(11)7-12-15-16-13-8-10(18)5-6-17(12)13/h1-6,8,16H,7H2
InChIKeyAQXHIQSKAVVMGQ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.27
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one

3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one (PubChem CID 117144531) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
PubChem CID117144531
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
SMILESO=c1ccn2c(Cc3ccccc3Cl)n[nH]c2c1
InChIInChI=1S/C13H10ClN3O/c14-11-4-2-1-3-9(11)7-12-15-16-13-8-10(18)5-6-17(12)13/h1-6,8,16H,7H2
InChIKeyAQXHIQSKAVVMGQ-UHFFFAOYSA-N
XLogP2.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-one
CID 74407094
3-[(2-chlorophenyl)methyl]-4-[4-[hydroxy(phenyl)methyl]phenyl]-1H-1,2,4-triazol-5-one
CID 71769624
3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
CID 117144395
3-[(2-chlorophenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
CID 5129956
3-[(2-chlorophenyl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 115389548
3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117145233
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117146970
5-[(2-chlorophenyl)methyl]-2H-triazole-4-carboxylic acid
CID 103115040
4-(2-chlorophenyl)-3-[2-(2-hydroxyphenyl)ethyl]-1H-1,2,4-triazol-5-one
CID 50957051
2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132733
2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560014
3-[(2-chlorophenyl)methyl]-5-phenyl-1H-pyrazin-2-one
CID 135364652

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one (CID 117144531) is 3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one is O=c1ccn2c(Cc3ccccc3Cl)n[nH]c2c1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The InChIKey is AQXHIQSKAVVMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-11-4-2-1-3-9(11)7-12-15-16-13-8-10(18)5-6-17(12)13/h1-6,8,16H,7H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one has a molecular weight of 259.70 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one is sourced from PubChem (CID 117144531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).