2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide

C9H15N5OS — CID 61017012

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide
SMILESCN(C(=O)Cn1cnc(N)n1)C1CCSC1
InChIInChI=1S/C9H15N5OS/c1-13(7-2-3-16-5-7)8(15)4-14-6-11-9(10)12-14/h6-7H,2-5H2,1H3,(H2,10,12)
InChIKeyWMEHCKLQRZSSTH-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.18
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide (PubChem CID 61017012) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide
PubChem CID61017012
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide
SMILESCN(C(=O)Cn1cnc(N)n1)C1CCSC1
InChIInChI=1S/C9H15N5OS/c1-13(7-2-3-16-5-7)8(15)4-14-6-11-9(10)12-14/h6-7H,2-5H2,1H3,(H2,10,12)
InChIKeyWMEHCKLQRZSSTH-UHFFFAOYSA-N
XLogP-0.18
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)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-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide (CID 61017012) is 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide is CN(C(=O)Cn1cnc(N)n1)C1CCSC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide?
The InChIKey is WMEHCKLQRZSSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-13(7-2-3-16-5-7)8(15)4-14-6-11-9(10)12-14/h6-7H,2-5H2,1H3,(H2,10,12).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide has a molecular weight of 241.32 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 61017012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).