2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid

C4H9N9O3 — CID 129318357

IUPAC2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid
SMILESNC(N)=Nc1nc(N)nc(N)n1.O=[N+]([O-])O
InChIInChI=1S/C4H8N8.HNO3/c5-1(6)9-4-11-2(7)10-3(8)12-4;2-1(3)4/h(H8,5,6,7,8,9,10,11,12);(H,2,3,4)
InChIKeyOFGDLWZIPBIWMA-UHFFFAOYSA-N
MW231.18 g/mol
LogP-2.41
Rot. Bonds1

About 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid

2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid (PubChem CID 129318357) has the molecular formula C4H9N9O3 and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid.

Molecular Properties

Compound Name2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid
PubChem CID129318357
Molecular FormulaC4H9N9O3
Molecular Weight231.18 g/mol
Exact Mass231.08
IUPAC Name2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid
SMILESNC(N)=Nc1nc(N)nc(N)n1.O=[N+]([O-])O
InChIInChI=1S/C4H8N8.HNO3/c5-1(6)9-4-11-2(7)10-3(8)12-4;2-1(3)4/h(H8,5,6,7,8,9,10,11,12);(H,2,3,4)
InChIKeyOFGDLWZIPBIWMA-UHFFFAOYSA-N
XLogP-2.41
TPSA218.48 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 5-2.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric 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 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid?
The IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid (CID 129318357) is 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid.
What is the SMILES notation for 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid?
The canonical SMILES for 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid is NC(N)=Nc1nc(N)nc(N)n1.O=[N+]([O-])O.
What is the InChIKey of 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid?
The InChIKey is OFGDLWZIPBIWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N8.HNO3/c5-1(6)9-4-11-2(7)10-3(8)12-4;2-1(3)4/h(H8,5,6,7,8,9,10,11,12);(H,2,3,4).
What are the key properties of 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid?
2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid has a molecular weight of 231.18 g/mol, XLogP of -2.41, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine;nitric acid is sourced from PubChem (CID 129318357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).