2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide

C16H19FN4O2 — CID 111485653

IUPAC2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN4O2/c17-12-4-6-13(7-5-12)21-19-10-14(20-21)15(22)18-11-16(23)8-2-1-3-9-16/h4-7,10,23H,1-3,8-9,11H2,(H,18,22)
InChIKeyZDIUAPUEOCPKGL-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.83
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide

2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide (PubChem CID 111485653) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide
PubChem CID111485653
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN4O2/c17-12-4-6-13(7-5-12)21-19-10-14(20-21)15(22)18-11-16(23)8-2-1-3-9-16/h4-7,10,23H,1-3,8-9,11H2,(H,18,22)
InChIKeyZDIUAPUEOCPKGL-UHFFFAOYSA-N
XLogP1.83
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2-phenyltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544026
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
CID 18165130
2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide
CID 175783171
2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119512213
N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide
CID 164637668
2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119447017
2-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]triazole-4-carboxamide
CID 71856711
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide
CID 175783403
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
CID 81316208
N-[(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-(3,4-difluorophenyl)triazole-4-carboxamide
CID 166636596
N-[(1-hydroxycycloheptyl)methyl]-1-phenyltriazole-4-carboxamide
CID 111433180

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide (CID 111485653) is 2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide is O=C(NCC1(O)CCCCC1)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide?
The InChIKey is ZDIUAPUEOCPKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-12-4-6-13(7-5-12)21-19-10-14(20-21)15(22)18-11-16(23)8-2-1-3-9-16/h4-7,10,23H,1-3,8-9,11H2,(H,18,22).
What are the key properties of 2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide?
2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 111485653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).