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

C16H13ClN4O2 — CID 1475789

IUPAC[1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H13ClN4O2/c17-12-6-8-15(9-7-12)21-10-14(19-20-21)11-23-16(22)18-13-4-2-1-3-5-13/h1-10H,11H2,(H,18,22)
InChIKeyLYDVUNMUKWQJAS-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.67
Rot. Bonds4

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

[1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate (PubChem CID 1475789) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is [1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate
PubChem CID1475789
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name[1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H13ClN4O2/c17-12-6-8-15(9-7-12)21-10-14(19-20-21)11-23-16(22)18-13-4-2-1-3-5-13/h1-10H,11H2,(H,18,22)
InChIKeyLYDVUNMUKWQJAS-UHFFFAOYSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate?
The IUPAC name of [1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate (CID 1475789) is [1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate.
What is the SMILES notation for [1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate?
The canonical SMILES for [1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate is O=C(Nc1ccccc1)OCc1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of [1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate?
The InChIKey is LYDVUNMUKWQJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-6-8-15(9-7-12)21-10-14(19-20-21)11-23-16(22)18-13-4-2-1-3-5-13/h1-10H,11H2,(H,18,22).
What are the key properties of [1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate?
[1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate has a molecular weight of 328.76 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)triazol-4-yl]methyl N-phenylcarbamate is sourced from PubChem (CID 1475789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).