2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide

C12H13N5O2S — CID 7196813

IUPAC2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide
SMILESNn1c(SCC(=O)NCc2ccccc2)nncc1=O
InChIInChI=1S/C12H13N5O2S/c13-17-11(19)7-15-16-12(17)20-8-10(18)14-6-9-4-2-1-3-5-9/h1-5,7H,6,8,13H2,(H,14,18)
InChIKeyGAKUROOUQXWWLO-UHFFFAOYSA-N
MW291.34 g/mol
LogP-0.24
Rot. Bonds5

About 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide

2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide (PubChem CID 7196813) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide
PubChem CID7196813
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide
SMILESNn1c(SCC(=O)NCc2ccccc2)nncc1=O
InChIInChI=1S/C12H13N5O2S/c13-17-11(19)7-15-16-12(17)20-8-10(18)14-6-9-4-2-1-3-5-9/h1-5,7H,6,8,13H2,(H,14,18)
InChIKeyGAKUROOUQXWWLO-UHFFFAOYSA-N
XLogP-0.24
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide 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-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide?
The IUPAC name of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide (CID 7196813) is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide.
What is the SMILES notation for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide?
The canonical SMILES for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide is Nn1c(SCC(=O)NCc2ccccc2)nncc1=O.
What is the InChIKey of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide?
The InChIKey is GAKUROOUQXWWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c13-17-11(19)7-15-16-12(17)20-8-10(18)14-6-9-4-2-1-3-5-9/h1-5,7H,6,8,13H2,(H,14,18).
What are the key properties of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide?
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide has a molecular weight of 291.34 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide is sourced from PubChem (CID 7196813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).