N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C12H19N5O2S — CID 108756525

IUPACN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCSc1n[nH]c(NC(=O)C2CC(=O)N(C(C)C)C2)n1
InChIInChI=1S/C12H19N5O2S/c1-4-20-12-14-11(15-16-12)13-10(19)8-5-9(18)17(6-8)7(2)3/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16,19)
InChIKeyLZOLXSWGMVNUOU-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.11
Rot. Bonds5

About N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108756525) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108756525
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCSc1n[nH]c(NC(=O)C2CC(=O)N(C(C)C)C2)n1
InChIInChI=1S/C12H19N5O2S/c1-4-20-12-14-11(15-16-12)13-10(19)8-5-9(18)17(6-8)7(2)3/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16,19)
InChIKeyLZOLXSWGMVNUOU-UHFFFAOYSA-N
XLogP1.11
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide 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-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108756525) is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCSc1n[nH]c(NC(=O)C2CC(=O)N(C(C)C)C2)n1.
What is the InChIKey of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is LZOLXSWGMVNUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-4-20-12-14-11(15-16-12)13-10(19)8-5-9(18)17(6-8)7(2)3/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16,19).
What are the key properties of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108756525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).