1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide

C16H18F3N5O — CID 45234511

IUPAC1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C16H18F3N5O/c17-16(18,19)14(12-8-4-5-9-20-12)21-15(25)13-10-24(23-22-13)11-6-2-1-3-7-11/h4-5,8-11,14H,1-3,6-7H2,(H,21,25)
InChIKeyBMOYMWPODJIKMO-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.21
Rot. Bonds4

About 1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide

1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide (PubChem CID 45234511) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide
PubChem CID45234511
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C16H18F3N5O/c17-16(18,19)14(12-8-4-5-9-20-12)21-15(25)13-10-24(23-22-13)11-6-2-1-3-7-11/h4-5,8-11,14H,1-3,6-7H2,(H,21,25)
InChIKeyBMOYMWPODJIKMO-UHFFFAOYSA-N
XLogP3.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-tert-butyl-1-cyclohexyl-4-oxo-5-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-3,5-dicarboxamide
CID 42461960
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119887634
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 25487064
[(1R)-1-[(1-cyclohexyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155512795
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
4-(1,2,4-triazol-4-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide
CID 99949555
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395
1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
CID 95722766
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide
CID 56713606
N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119810342

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide (CID 45234511) is 1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide is O=C(NC(c1ccccn1)C(F)(F)F)c1cn(C2CCCCC2)nn1.
What is the InChIKey of 1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is BMOYMWPODJIKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c17-16(18,19)14(12-8-4-5-9-20-12)21-15(25)13-10-24(23-22-13)11-6-2-1-3-7-11/h4-5,8-11,14H,1-3,6-7H2,(H,21,25).
What are the key properties of 1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide?
1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 45234511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).