2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

C11H20N4OS — CID 3212525

IUPAC2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(CCC)n1C
InChIInChI=1S/C11H20N4OS/c1-4-6-9-13-14-11(15(9)3)17-8-10(16)12-7-5-2/h4-8H2,1-3H3,(H,12,16)
InChIKeyHVSFDHGSZRJPQT-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.39
Rot. Bonds7

About 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (PubChem CID 3212525) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
PubChem CID3212525
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(CCC)n1C
InChIInChI=1S/C11H20N4OS/c1-4-6-9-13-14-11(15(9)3)17-8-10(16)12-7-5-2/h4-8H2,1-3H3,(H,12,16)
InChIKeyHVSFDHGSZRJPQT-UHFFFAOYSA-N
XLogP1.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (CID 3212525) is 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nnc(CCC)n1C.
What is the InChIKey of 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The InChIKey is HVSFDHGSZRJPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-6-9-13-14-11(15(9)3)17-8-10(16)12-7-5-2/h4-8H2,1-3H3,(H,12,16).
What are the key properties of 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide has a molecular weight of 256.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 3212525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).