2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide

C14H17ClN4O2 — CID 94946279

IUPAC2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nnc(CO)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O2/c1-2-7-16-13(21)8-19-14(12(9-20)17-18-19)10-3-5-11(15)6-4-10/h3-6,20H,2,7-9H2,1H3,(H,16,21)
InChIKeySSQUYCLUVWRCER-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.62
Rot. Bonds6

About 2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide

2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide (PubChem CID 94946279) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide
PubChem CID94946279
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nnc(CO)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O2/c1-2-7-16-13(21)8-19-14(12(9-20)17-18-19)10-3-5-11(15)6-4-10/h3-6,20H,2,7-9H2,1H3,(H,16,21)
InChIKeySSQUYCLUVWRCER-UHFFFAOYSA-N
XLogP1.62
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-(3,4-difluorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide
CID 94946287
2-[4-(hydroxymethyl)-5-(2-methylphenyl)triazol-1-yl]-N-propylacetamide
CID 82211353
2-[5-(3,4-dimethylphenyl)-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 82211263
2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-propylacetamide
CID 82211365
[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208326
methyl 5-(4-chlorophenyl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103105508
1-[[2-[4,5-bis(4-chlorophenyl)triazol-1-yl]acetyl]amino]-3-hexylurea
CID 59363165
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324
[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol
CID 82205678
5-(3-methoxyphenyl)-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid
CID 94946264
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 14390236
2-[5-[(4-chlorophenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 94946248

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide (CID 94946279) is 2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1nnc(CO)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide?
The InChIKey is SSQUYCLUVWRCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-2-7-16-13(21)8-19-14(12(9-20)17-18-19)10-3-5-11(15)6-4-10/h3-6,20H,2,7-9H2,1H3,(H,16,21).
What are the key properties of 2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide?
2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide has a molecular weight of 308.77 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 94946279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).