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

C10H8F3N5O2 — CID 60983309

IUPAC2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H8F3N5O2/c11-10(12,13)6-2-1-5(9(20)17-6)8(19)14-3-7-15-4-16-18-7/h1-2,4H,3H2,(H,14,19)(H,17,20)(H,15,16,18)
InChIKeyFONIKBBUXIKUDC-UHFFFAOYSA-N
MW287.20 g/mol
LogP0.44
Rot. Bonds3

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

2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 60983309) has the molecular formula C10H8F3N5O2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID60983309
Molecular FormulaC10H8F3N5O2
Molecular Weight287.20 g/mol
Exact Mass287.06
IUPAC Name2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H8F3N5O2/c11-10(12,13)6-2-1-5(9(20)17-6)8(19)14-3-7-15-4-16-18-7/h1-2,4H,3H2,(H,14,19)(H,17,20)(H,15,16,18)
InChIKeyFONIKBBUXIKUDC-UHFFFAOYSA-N
XLogP0.44
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 103741590
1,6-dimethyl-2-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,2-dihydropyridine-3-carboxamide
CID 119062845
6-methyl-2-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,2-dihydropyridine-4-carboxamide
CID 124206420
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
6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
CID 167889541
4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 54883341
2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide
CID 54884799
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 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 60983309) is 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCc1ncn[nH]1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is FONIKBBUXIKUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O2/c11-10(12,13)6-2-1-5(9(20)17-6)8(19)14-3-7-15-4-16-18-7/h1-2,4H,3H2,(H,14,19)(H,17,20)(H,15,16,18).
What are the key properties of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 287.20 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60983309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).