3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

C11H10F3N5O2 — CID 87012907

IUPAC3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESO=C(CCn1ccccc1=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)9-16-10(18-17-9)15-7(20)4-6-19-5-2-1-3-8(19)21/h1-3,5H,4,6H2,(H2,15,16,17,18,20)
InChIKeyQUNXNMXNMWICMO-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.01
Rot. Bonds4

About 3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 87012907) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID87012907
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESO=C(CCn1ccccc1=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)9-16-10(18-17-9)15-7(20)4-6-19-5-2-1-3-8(19)21/h1-3,5H,4,6H2,(H2,15,16,17,18,20)
InChIKeyQUNXNMXNMWICMO-UHFFFAOYSA-N
XLogP1.01
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-4-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 33504211
2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide
CID 36580554
2-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 45807309
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 78927926
1,6-dimethyl-2-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,2-dihydropyridine-3-carboxamide
CID 119062845
1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 133924657
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 133924676
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 154781924
N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 166321505
4-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
CID 167743960
N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 171679212
3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54885098

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 87012907) is 3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is O=C(CCn1ccccc1=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is QUNXNMXNMWICMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c12-11(13,14)9-16-10(18-17-9)15-7(20)4-6-19-5-2-1-3-8(19)21/h1-3,5H,4,6H2,(H2,15,16,17,18,20).
What are the key properties of 3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 301.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 87012907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).