N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H20N6OS — CID 665973

IUPACN,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1
InChIInChI=1S/C18H20N6OS/c1-3-23(4-2)16(25)13-26-18-22-21-17(15-12-19-10-11-20-15)24(18)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
InChIKeyRGGQIKHFGUSRMB-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.68
Rot. Bonds7

About N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 665973) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID665973
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1
InChIInChI=1S/C18H20N6OS/c1-3-23(4-2)16(25)13-26-18-22-21-17(15-12-19-10-11-20-15)24(18)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
InChIKeyRGGQIKHFGUSRMB-UHFFFAOYSA-N
XLogP2.68
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide 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,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 665973) is N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1.
What is the InChIKey of N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is RGGQIKHFGUSRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-3-23(4-2)16(25)13-26-18-22-21-17(15-12-19-10-11-20-15)24(18)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 368.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 665973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).