N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C13H12N6O2S — CID 126843674

IUPACN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(Nc1nnc(C2CCC2)s1)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C13H12N6O2S/c20-10(8-4-5-9-15-18-13(21)19(9)6-8)14-12-17-16-11(22-12)7-2-1-3-7/h4-7H,1-3H2,(H,18,21)(H,14,17,20)
InChIKeySZYVRQWSOJLGSF-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.39
Rot. Bonds3

About N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 126843674) has the molecular formula C13H12N6O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID126843674
Molecular FormulaC13H12N6O2S
Molecular Weight316.35 g/mol
Exact Mass316.07
IUPAC NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(Nc1nnc(C2CCC2)s1)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C13H12N6O2S/c20-10(8-4-5-9-15-18-13(21)19(9)6-8)14-12-17-16-11(22-12)7-2-1-3-7/h4-7H,1-3H2,(H,18,21)(H,14,17,20)
InChIKeySZYVRQWSOJLGSF-UHFFFAOYSA-N
XLogP1.39
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 126843674) is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(Nc1nnc(C2CCC2)s1)c1ccc2n[nH]c(=O)n2c1.
What is the InChIKey of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is SZYVRQWSOJLGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S/c20-10(8-4-5-9-15-18-13(21)19(9)6-8)14-12-17-16-11(22-12)7-2-1-3-7/h4-7H,1-3H2,(H,18,21)(H,14,17,20).
What are the key properties of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 126843674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).