2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide

C17H28N6O2 — CID 70782123

IUPAC2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCCCCc1nn(CC(=O)N(C)Cc2cnn(C)c2C)c(=O)n1CC
InChIInChI=1S/C17H28N6O2/c1-6-8-9-15-19-23(17(25)22(15)7-2)12-16(24)20(4)11-14-10-18-21(5)13(14)3/h10H,6-9,11-12H2,1-5H3
InChIKeyUZCQUJPWPKJJQH-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.11
Rot. Bonds8

About 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide

2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 70782123) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID70782123
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCCCCc1nn(CC(=O)N(C)Cc2cnn(C)c2C)c(=O)n1CC
InChIInChI=1S/C17H28N6O2/c1-6-8-9-15-19-23(17(25)22(15)7-2)12-16(24)20(4)11-14-10-18-21(5)13(14)3/h10H,6-9,11-12H2,1-5H3
InChIKeyUZCQUJPWPKJJQH-UHFFFAOYSA-N
XLogP1.11
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide 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 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (CID 70782123) is 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide is CCCCc1nn(CC(=O)N(C)Cc2cnn(C)c2C)c(=O)n1CC.
What is the InChIKey of 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is UZCQUJPWPKJJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-6-8-9-15-19-23(17(25)22(15)7-2)12-16(24)20(4)11-14-10-18-21(5)13(14)3/h10H,6-9,11-12H2,1-5H3.
What are the key properties of 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 348.45 g/mol, XLogP of 1.11, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 70782123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).