1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide

C16H19ClN4O2 — CID 71934956

IUPAC1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NC2CCOCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-2-14-19-15(16(22)18-11-7-9-23-10-8-11)20-21(14)13-6-4-3-5-12(13)17/h3-6,11H,2,7-10H2,1H3,(H,18,22)
InChIKeyLCKOBUQEQRGORB-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.39
Rot. Bonds4

About 1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 71934956) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide
PubChem CID71934956
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NC2CCOCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-2-14-19-15(16(22)18-11-7-9-23-10-8-11)20-21(14)13-6-4-3-5-12(13)17/h3-6,11H,2,7-10H2,1H3,(H,18,22)
InChIKeyLCKOBUQEQRGORB-UHFFFAOYSA-N
XLogP2.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-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-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide (CID 71934956) is 1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NC2CCOCC2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is LCKOBUQEQRGORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-2-14-19-15(16(22)18-11-7-9-23-10-8-11)20-21(14)13-6-4-3-5-12(13)17/h3-6,11H,2,7-10H2,1H3,(H,18,22).
What are the key properties of 1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.39, 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-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 71934956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).