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

C11H10F3N5O — CID 103725771

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)nc1)c1ncn[nH]1
InChIInChI=1S/C11H10F3N5O/c1-6(9-16-5-17-19-9)18-10(20)7-2-3-8(15-4-7)11(12,13)14/h2-6H,1H3,(H,18,20)(H,16,17,19)
InChIKeyCGGHIABODUWYPE-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.71
Rot. Bonds3

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

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 103725771) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID103725771
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)nc1)c1ncn[nH]1
InChIInChI=1S/C11H10F3N5O/c1-6(9-16-5-17-19-9)18-10(20)7-2-3-8(15-4-7)11(12,13)14/h2-6H,1H3,(H,18,20)(H,16,17,19)
InChIKeyCGGHIABODUWYPE-UHFFFAOYSA-N
XLogP1.71
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43424634
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 65193836
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64547392
6-(1,2,4-triazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725935
3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide
CID 155908677
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 103716638
N-(4-methylpent-1-yn-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 114202428
N-[1-(3-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46518843
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 103716304

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 103725771) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(C(F)(F)F)nc1)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CGGHIABODUWYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-6(9-16-5-17-19-9)18-10(20)7-2-3-8(15-4-7)11(12,13)14/h2-6H,1H3,(H,18,20)(H,16,17,19).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 285.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103725771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).