3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one

C10H6ClN3OS — CID 117144395

IUPAC3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
SMILESO=c1ccn2c(-c3ccc(Cl)s3)n[nH]c2c1
InChIInChI=1S/C10H6ClN3OS/c11-8-2-1-7(16-8)10-13-12-9-5-6(15)3-4-14(9)10/h1-5,12H
InChIKeyPTQCHCLBOXHNTI-UHFFFAOYSA-N
MW251.70 g/mol
LogP2.40
Rot. Bonds1

About 3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one

3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one (PubChem CID 117144395) has the molecular formula C10H6ClN3OS and a molecular weight of 251.70 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
PubChem CID117144395
Molecular FormulaC10H6ClN3OS
Molecular Weight251.70 g/mol
Exact Mass250.99
IUPAC Name3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
SMILESO=c1ccn2c(-c3ccc(Cl)s3)n[nH]c2c1
InChIInChI=1S/C10H6ClN3OS/c11-8-2-1-7(16-8)10-13-12-9-5-6(15)3-4-14(9)10/h1-5,12H
InChIKeyPTQCHCLBOXHNTI-UHFFFAOYSA-N
XLogP2.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one (CID 117144395) is 3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one is O=c1ccn2c(-c3ccc(Cl)s3)n[nH]c2c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The InChIKey is PTQCHCLBOXHNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3OS/c11-8-2-1-7(16-8)10-13-12-9-5-6(15)3-4-14(9)10/h1-5,12H.
What are the key properties of 3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one has a molecular weight of 251.70 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one is sourced from PubChem (CID 117144395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).