[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate

C17H21ClN4O2 — CID 154071084

IUPAC[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCc1cn(Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H21ClN4O2/c18-14-8-6-13(7-9-14)10-22-11-16(20-21-22)12-24-17(23)19-15-4-2-1-3-5-15/h6-9,11,15H,1-5,10,12H2,(H,19,23)
InChIKeyJYRLAJORCVTJGT-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.54
Rot. Bonds5

About [1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate

[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate (PubChem CID 154071084) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate
PubChem CID154071084
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCc1cn(Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H21ClN4O2/c18-14-8-6-13(7-9-14)10-22-11-16(20-21-22)12-24-17(23)19-15-4-2-1-3-5-15/h6-9,11,15H,1-5,10,12H2,(H,19,23)
InChIKeyJYRLAJORCVTJGT-UHFFFAOYSA-N
XLogP3.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
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1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
CID 25295269
(1-benzyltriazol-4-yl)methyl benzoate
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benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide
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benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
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(4-nitrophenyl)methyl N-cyclopentylcarbamate
CID 142246098

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate?
The IUPAC name of [1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate (CID 154071084) is [1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCc1cn(Cc2ccc(Cl)cc2)nn1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate?
The InChIKey is JYRLAJORCVTJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-14-8-6-13(7-9-14)10-22-11-16(20-21-22)12-24-17(23)19-15-4-2-1-3-5-15/h6-9,11,15H,1-5,10,12H2,(H,19,23).
What are the key properties of [1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate?
[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate has a molecular weight of 348.83 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl N-cyclohexylcarbamate is sourced from PubChem (CID 154071084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).