N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

C13H22N4O2S — CID 9205471

IUPACN-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CSc1n[nH]c(=O)n1CC
InChIInChI=1S/C13H22N4O2S/c1-3-7-16(8-10-5-6-10)11(18)9-20-13-15-14-12(19)17(13)4-2/h10H,3-9H2,1-2H3,(H,14,19)
InChIKeyFVAYVZZGCIJTMR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.33
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (PubChem CID 9205471) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
PubChem CID9205471
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CSc1n[nH]c(=O)n1CC
InChIInChI=1S/C13H22N4O2S/c1-3-7-16(8-10-5-6-10)11(18)9-20-13-15-14-12(19)17(13)4-2/h10H,3-9H2,1-2H3,(H,14,19)
InChIKeyFVAYVZZGCIJTMR-UHFFFAOYSA-N
XLogP1.33
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-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 N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (CID 9205471) is N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is CCCN(CC1CC1)C(=O)CSc1n[nH]c(=O)n1CC.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The InChIKey is FVAYVZZGCIJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-7-16(8-10-5-6-10)11(18)9-20-13-15-14-12(19)17(13)4-2/h10H,3-9H2,1-2H3,(H,14,19).
What are the key properties of N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide has a molecular weight of 298.41 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 9205471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).