N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide

C10H13F3N4O — CID 113226189

IUPACN-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cn[nH]n1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-2-1-3-7(4-6)15-9(18)8-5-14-17-16-8/h5-7H,1-4H2,(H,15,18)(H,14,16,17)
InChIKeyRWPQZOWLKLRVHI-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.66
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide

N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide (PubChem CID 113226189) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
PubChem CID113226189
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cn[nH]n1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-2-1-3-7(4-6)15-9(18)8-5-14-17-16-8/h5-7H,1-4H2,(H,15,18)(H,14,16,17)
InChIKeyRWPQZOWLKLRVHI-UHFFFAOYSA-N
XLogP1.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553
6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103875087
N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 106995382
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide
CID 106444127
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 125159540
N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide
CID 146039350
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide (CID 113226189) is N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1cn[nH]n1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide?
The InChIKey is RWPQZOWLKLRVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)6-2-1-3-7(4-6)15-9(18)8-5-14-17-16-8/h5-7H,1-4H2,(H,15,18)(H,14,16,17).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide?
N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 113226189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).