2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine

C4H5N6O2S- — CID 57289723

IUPAC2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine
SMILESNC(=NS(=O)[O-])Nc1ncncn1
InChIInChI=1S/C4H6N6O2S/c5-3(10-13(11)12)9-4-7-1-6-2-8-4/h1-2H,(H,11,12)(H3,5,6,7,8,9,10)/p-1
InChIKeyZPRDYQUWVDUUMY-UHFFFAOYSA-M
MW201.19 g/mol
LogP-1.61
Rot. Bonds2

About 2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine

2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine (PubChem CID 57289723) has the molecular formula C4H5N6O2S- and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine.

Molecular Properties

Compound Name2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine
PubChem CID57289723
Molecular FormulaC4H5N6O2S-
Molecular Weight201.19 g/mol
Exact Mass201.02
IUPAC Name2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine
SMILESNC(=NS(=O)[O-])Nc1ncncn1
InChIInChI=1S/C4H6N6O2S/c5-3(10-13(11)12)9-4-7-1-6-2-8-4/h1-2H,(H,11,12)(H3,5,6,7,8,9,10)/p-1
InChIKeyZPRDYQUWVDUUMY-UHFFFAOYSA-M
XLogP-1.61
TPSA129.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine 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-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine?
The IUPAC name of 2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine (CID 57289723) is 2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine.
What is the SMILES notation for 2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine?
The canonical SMILES for 2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine is NC(=NS(=O)[O-])Nc1ncncn1.
What is the InChIKey of 2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine?
The InChIKey is ZPRDYQUWVDUUMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N6O2S/c5-3(10-13(11)12)9-4-7-1-6-2-8-4/h1-2H,(H,11,12)(H3,5,6,7,8,9,10)/p-1.
What are the key properties of 2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine?
2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine has a molecular weight of 201.19 g/mol, XLogP of -1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine is sourced from PubChem (CID 57289723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).