2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide

C10H20N6OS — CID 40546896

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CSc1nncn1N
InChIInChI=1S/C10H20N6OS/c1-3-15(4-2)6-5-12-9(17)7-18-10-14-13-8-16(10)11/h8H,3-7,11H2,1-2H3,(H,12,17)
InChIKeyRAYHTSLYMNFZCW-UHFFFAOYSA-N
MW272.38 g/mol
LogP-0.46
Rot. Bonds8

About 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 40546896) has the molecular formula C10H20N6OS and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
PubChem CID40546896
Molecular FormulaC10H20N6OS
Molecular Weight272.38 g/mol
Exact Mass272.14
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CSc1nncn1N
InChIInChI=1S/C10H20N6OS/c1-3-15(4-2)6-5-12-9(17)7-18-10-14-13-8-16(10)11/h8H,3-7,11H2,1-2H3,(H,12,17)
InChIKeyRAYHTSLYMNFZCW-UHFFFAOYSA-N
XLogP-0.46
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]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 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide (CID 40546896) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)CSc1nncn1N.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is RAYHTSLYMNFZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6OS/c1-3-15(4-2)6-5-12-9(17)7-18-10-14-13-8-16(10)11/h8H,3-7,11H2,1-2H3,(H,12,17).
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 272.38 g/mol, XLogP of -0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 40546896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).