N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide

C15H17FN4O — CID 166239999

IUPACN-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide
SMILESO=C(NC1CCCC(F)C1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H17FN4O/c16-11-7-4-8-12(9-11)17-15(21)14-13(18-20-19-14)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,17,21)(H,18,19,20)
InChIKeyBOBLMLYHQICXJH-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.48
Rot. Bonds3

About N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide

N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide (PubChem CID 166239999) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide
PubChem CID166239999
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide
SMILESO=C(NC1CCCC(F)C1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H17FN4O/c16-11-7-4-8-12(9-11)17-15(21)14-13(18-20-19-14)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,17,21)(H,18,19,20)
InChIKeyBOBLMLYHQICXJH-UHFFFAOYSA-N
XLogP2.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,3S)-3-fluorocyclohexyl]benzamide
CID 162413699
cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone
CID 138981933
N-[(1R,3R)-3-fluorocyclopentyl]benzamide
CID 129348896
N-[(1S,3S)-3-fluorocyclopentyl]benzamide
CID 129348898
5-amino-N-cyclobutyl-2H-triazole-4-carboxamide
CID 105439344
N-cyclopropyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]acetamide
CID 63641722
5-amino-N-cycloheptyl-2H-triazole-4-carboxamide
CID 110484902
1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea
CID 166254505
N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361109
N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168691
N-cyclohexyl-5,6-diphenylpyrazine-2-carboxamide
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N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide
CID 64982870

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide (CID 166239999) is N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide is O=C(NC1CCCC(F)C1)c1n[nH]nc1-c1ccccc1.
What is the InChIKey of N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide?
The InChIKey is BOBLMLYHQICXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-11-7-4-8-12(9-11)17-15(21)14-13(18-20-19-14)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,17,21)(H,18,19,20).
What are the key properties of N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide?
N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclohexyl)-5-phenyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 166239999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).