N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid

C5H10N6O5S — CID 174450453

IUPACN-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid
SMILESCC(=O)Nc1nc(N)nc(N)n1.O=S(=O)(O)O
InChIInChI=1S/C5H8N6O.H2O4S/c1-2(12)8-5-10-3(6)9-4(7)11-5;1-5(2,3)4/h1H3,(H5,6,7,8,9,10,11,12);(H2,1,2,3,4)
InChIKeyGJBQLDUEUNUJRS-UHFFFAOYSA-N
MW266.24 g/mol
LogP-1.66
Rot. Bonds1

About N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid

N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid (PubChem CID 174450453) has the molecular formula C5H10N6O5S and a molecular weight of 266.24 g/mol. Its IUPAC name is N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid.

Molecular Properties

Compound NameN-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid
PubChem CID174450453
Molecular FormulaC5H10N6O5S
Molecular Weight266.24 g/mol
Exact Mass266.04
IUPAC NameN-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid
SMILESCC(=O)Nc1nc(N)nc(N)n1.O=S(=O)(O)O
InChIInChI=1S/C5H8N6O.H2O4S/c1-2(12)8-5-10-3(6)9-4(7)11-5;1-5(2,3)4/h1H3,(H5,6,7,8,9,10,11,12);(H2,1,2,3,4)
InChIKeyGJBQLDUEUNUJRS-UHFFFAOYSA-N
XLogP-1.66
TPSA194.41 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 5-1.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid 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-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid?
The IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid (CID 174450453) is N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid.
What is the SMILES notation for N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid?
The canonical SMILES for N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid is CC(=O)Nc1nc(N)nc(N)n1.O=S(=O)(O)O.
What is the InChIKey of N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid?
The InChIKey is GJBQLDUEUNUJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O.H2O4S/c1-2(12)8-5-10-3(6)9-4(7)11-5;1-5(2,3)4/h1H3,(H5,6,7,8,9,10,11,12);(H2,1,2,3,4).
What are the key properties of N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid?
N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid has a molecular weight of 266.24 g/mol, XLogP of -1.66, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid is sourced from PubChem (CID 174450453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).