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

C10H8F3N5O2 — CID 78927926

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n[nH]1
InChIInChI=1S/C10H8F3N5O2/c1-4-14-9(18-17-4)16-8(20)5-2-3-6(10(11,12)13)15-7(5)19/h2-3H,1H3,(H,15,19)(H2,14,16,17,18,20)
InChIKeyYNYQMDYXOBMGGP-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.07
Rot. Bonds2

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

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 78927926) has the molecular formula C10H8F3N5O2 and a molecular weight of 287.20 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID78927926
Molecular FormulaC10H8F3N5O2
Molecular Weight287.20 g/mol
Exact Mass287.06
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n[nH]1
InChIInChI=1S/C10H8F3N5O2/c1-4-14-9(18-17-4)16-8(20)5-2-3-6(10(11,12)13)15-7(5)19/h2-3H,1H3,(H,15,19)(H2,14,16,17,18,20)
InChIKeyYNYQMDYXOBMGGP-UHFFFAOYSA-N
XLogP1.07
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 78927926) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1nc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YNYQMDYXOBMGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O2/c1-4-14-9(18-17-4)16-8(20)5-2-3-6(10(11,12)13)15-7(5)19/h2-3H,1H3,(H,15,19)(H2,14,16,17,18,20).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 287.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 78927926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).