5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide

C12H9ClN4O2 — CID 30138650

IUPAC5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(Cl)o1
InChIInChI=1S/C12H9ClN4O2/c13-9-5-4-8(19-9)12(18)14-7-11-16-15-10-3-1-2-6-17(10)11/h1-6H,7H2,(H,14,18)
InChIKeyQLRCRVLJJPMIJM-UHFFFAOYSA-N
MW276.68 g/mol
LogP1.91
Rot. Bonds3

About 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide

5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 30138650) has the molecular formula C12H9ClN4O2 and a molecular weight of 276.68 g/mol. Its IUPAC name is 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID30138650
Molecular FormulaC12H9ClN4O2
Molecular Weight276.68 g/mol
Exact Mass276.04
IUPAC Name5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(Cl)o1
InChIInChI=1S/C12H9ClN4O2/c13-9-5-4-8(19-9)12(18)14-7-11-16-15-10-3-1-2-6-17(10)11/h1-6H,7H2,(H,14,18)
InChIKeyQLRCRVLJJPMIJM-UHFFFAOYSA-N
XLogP1.91
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021038
5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 46429675
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 66484521
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91947819
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688186

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide (CID 30138650) is 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide is O=C(NCc1nnc2ccccn12)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is QLRCRVLJJPMIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2/c13-9-5-4-8(19-9)12(18)14-7-11-16-15-10-3-1-2-6-17(10)11/h1-6H,7H2,(H,14,18).
What are the key properties of 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide?
5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 276.68 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 30138650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).