1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide

C15H17ClN4O2 — CID 16649405

IUPAC1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)nnn1-c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2/c1-10-14(15(21)17-9-11-5-4-8-22-11)18-19-20(10)13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,21)
InChIKeyWTESAJVARCFXRQ-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide

1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 16649405) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
PubChem CID16649405
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)nnn1-c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2/c1-10-14(15(21)17-9-11-5-4-8-22-11)18-19-20(10)13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,21)
InChIKeyWTESAJVARCFXRQ-UHFFFAOYSA-N
XLogP2.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide 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-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide (CID 16649405) is 1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide is Cc1c(C(=O)NCC2CCCO2)nnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is WTESAJVARCFXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-10-14(15(21)17-9-11-5-4-8-22-11)18-19-20(10)13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,21).
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 16649405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).