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

C11H20N4OS — CID 1451309

IUPAC2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCCCc1nnc(SCC(=O)NC(C)C)n1C
InChIInChI=1S/C11H20N4OS/c1-5-6-9-13-14-11(15(9)4)17-7-10(16)12-8(2)3/h8H,5-7H2,1-4H3,(H,12,16)
InChIKeyCBHVVPKZFPVMBB-UHFFFAOYSA-N
MW256.38 g/mol
LogP1.38
Rot. Bonds6

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

2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 1451309) has the molecular formula C11H20N4OS and a molecular weight of 256.38 g/mol. Its IUPAC name is 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID1451309
Molecular FormulaC11H20N4OS
Molecular Weight256.38 g/mol
Exact Mass256.14
IUPAC Name2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCCCc1nnc(SCC(=O)NC(C)C)n1C
InChIInChI=1S/C11H20N4OS/c1-5-6-9-13-14-11(15(9)4)17-7-10(16)12-8(2)3/h8H,5-7H2,1-4H3,(H,12,16)
InChIKeyCBHVVPKZFPVMBB-UHFFFAOYSA-N
XLogP1.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide 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-propan-2-ylacetamide?
The IUPAC name of 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide (CID 1451309) is 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide is CCCc1nnc(SCC(=O)NC(C)C)n1C.
What is the InChIKey of 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is CBHVVPKZFPVMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-5-6-9-13-14-11(15(9)4)17-7-10(16)12-8(2)3/h8H,5-7H2,1-4H3,(H,12,16).
What are the key properties of 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide?
2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 256.38 g/mol, XLogP of 1.38, 6 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-propan-2-ylacetamide is sourced from PubChem (CID 1451309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).