1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide

C11H10F3N5O2 — CID 171679266

IUPAC1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide
SMILESCn1nc(C(F)(F)F)nc1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C11H10F3N5O2/c1-18-4-3-6(5-7(18)20)8(21)15-10-16-9(11(12,13)14)17-19(10)2/h3-5H,1-2H3,(H,15,16,17,21)
InChIKeyQFMKTEUAZQDVPA-UHFFFAOYSA-N
MW301.23 g/mol
LogP0.78
Rot. Bonds2

About 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide

1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide (PubChem CID 171679266) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide
PubChem CID171679266
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide
SMILESCn1nc(C(F)(F)F)nc1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C11H10F3N5O2/c1-18-4-3-6(5-7(18)20)8(21)15-10-16-9(11(12,13)14)17-19(10)2/h3-5H,1-2H3,(H,15,16,17,21)
InChIKeyQFMKTEUAZQDVPA-UHFFFAOYSA-N
XLogP0.78
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide (CID 171679266) is 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide is Cn1nc(C(F)(F)F)nc1NC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide?
The InChIKey is QFMKTEUAZQDVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-18-4-3-6(5-7(18)20)8(21)15-10-16-9(11(12,13)14)17-19(10)2/h3-5H,1-2H3,(H,15,16,17,21).
What are the key properties of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide?
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide has a molecular weight of 301.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 171679266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).