N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C13H13N7O — CID 167890836

IUPACN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1n[nH]c(C2CCC2)n1)c1ccn2ncnc2c1
InChIInChI=1S/C13H13N7O/c21-12(9-4-5-20-10(6-9)14-7-15-20)17-13-16-11(18-19-13)8-2-1-3-8/h4-8H,1-3H2,(H2,16,17,18,19,21)
InChIKeyHEQIBNDVLCJSIS-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.37
Rot. Bonds3

About N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 167890836) has the molecular formula C13H13N7O and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID167890836
Molecular FormulaC13H13N7O
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1n[nH]c(C2CCC2)n1)c1ccn2ncnc2c1
InChIInChI=1S/C13H13N7O/c21-12(9-4-5-20-10(6-9)14-7-15-20)17-13-16-11(18-19-13)8-2-1-3-8/h4-8H,1-3H2,(H2,16,17,18,19,21)
InChIKeyHEQIBNDVLCJSIS-UHFFFAOYSA-N
XLogP1.37
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 167890836) is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is O=C(Nc1n[nH]c(C2CCC2)n1)c1ccn2ncnc2c1.
What is the InChIKey of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is HEQIBNDVLCJSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c21-12(9-4-5-20-10(6-9)14-7-15-20)17-13-16-11(18-19-13)8-2-1-3-8/h4-8H,1-3H2,(H2,16,17,18,19,21).
What are the key properties of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 167890836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).