5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide

C12H9ClN4OS — CID 53166309

IUPAC5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
SMILESCc1nnc2c(NC(=O)c3ccc(Cl)s3)cccn12
InChIInChI=1S/C12H9ClN4OS/c1-7-15-16-11-8(3-2-6-17(7)11)14-12(18)9-4-5-10(13)19-9/h2-6H,1H3,(H,14,18)
InChIKeyUWJDGZFFKXQDQA-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.00
Rot. Bonds2

About 5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide

5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide (PubChem CID 53166309) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is 5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
PubChem CID53166309
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC Name5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
SMILESCc1nnc2c(NC(=O)c3ccc(Cl)s3)cccn12
InChIInChI=1S/C12H9ClN4OS/c1-7-15-16-11-8(3-2-6-17(7)11)14-12(18)9-4-5-10(13)19-9/h2-6H,1H3,(H,14,18)
InChIKeyUWJDGZFFKXQDQA-UHFFFAOYSA-N
XLogP3.00
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide (CID 53166309) is 5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide is Cc1nnc2c(NC(=O)c3ccc(Cl)s3)cccn12.
What is the InChIKey of 5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The InChIKey is UWJDGZFFKXQDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c1-7-15-16-11-8(3-2-6-17(7)11)14-12(18)9-4-5-10(13)19-9/h2-6H,1H3,(H,14,18).
What are the key properties of 5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53166309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).