6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide

C11H13N5O2 — CID 51107570

IUPAC6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(NC(=O)c2ccc(=O)[nH]c2)n[nH]1
InChIInChI=1S/C11H13N5O2/c1-6(2)9-13-11(16-15-9)14-10(18)7-3-4-8(17)12-5-7/h3-6H,1-2H3,(H,12,17)(H2,13,14,15,16,18)
InChIKeyLOTILJFYUHIZAP-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.87
Rot. Bonds3

About 6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide

6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide (PubChem CID 51107570) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide
PubChem CID51107570
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(NC(=O)c2ccc(=O)[nH]c2)n[nH]1
InChIInChI=1S/C11H13N5O2/c1-6(2)9-13-11(16-15-9)14-10(18)7-3-4-8(17)12-5-7/h3-6H,1-2H3,(H,12,17)(H2,13,14,15,16,18)
InChIKeyLOTILJFYUHIZAP-UHFFFAOYSA-N
XLogP0.87
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide (CID 51107570) is 6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide is CC(C)c1nc(NC(=O)c2ccc(=O)[nH]c2)n[nH]1.
What is the InChIKey of 6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide?
The InChIKey is LOTILJFYUHIZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6(2)9-13-11(16-15-9)14-10(18)7-3-4-8(17)12-5-7/h3-6H,1-2H3,(H,12,17)(H2,13,14,15,16,18).
What are the key properties of 6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide?
6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51107570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).