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

C12H12F3N5O2 — CID 119062845

IUPAC1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)c(=O)n1C
InChIInChI=1S/C12H12F3N5O2/c1-6-3-4-7(10(22)20(6)2)9(21)16-5-8-17-11(19-18-8)12(13,14)15/h3-4H,5H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyHRMQOKWJKYBNPH-UHFFFAOYSA-N
MW315.26 g/mol
LogP0.76
Rot. Bonds3

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

1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 119062845) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.26 g/mol. Its IUPAC name is 1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID119062845
Molecular FormulaC12H12F3N5O2
Molecular Weight315.26 g/mol
Exact Mass315.09
IUPAC Name1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)c(=O)n1C
InChIInChI=1S/C12H12F3N5O2/c1-6-3-4-7(10(22)20(6)2)9(21)16-5-8-17-11(19-18-8)12(13,14)15/h3-4H,5H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyHRMQOKWJKYBNPH-UHFFFAOYSA-N
XLogP0.76
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide
CID 36580554
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60983309
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64512070
2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64529410
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 78927926
3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 87012907
2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 103741590
6-methyl-2-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,2-dihydropyridine-4-carboxamide
CID 124206420
1-methyl-6-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,6-dihydropyridine-3-carboxamide
CID 124214118
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 133924676
N-[2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 137982329
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166321498

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide (CID 119062845) is 1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is HRMQOKWJKYBNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O2/c1-6-3-4-7(10(22)20(6)2)9(21)16-5-8-17-11(19-18-8)12(13,14)15/h3-4H,5H2,1-2H3,(H,16,21)(H,17,18,19).
What are the key properties of 1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide?
1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 315.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 119062845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).