2-imidazol-2-ylium-2-yl-1,3,5-triazine

C6H4N5+ — CID 56997202

IUPAC2-imidazol-2-ylium-2-yl-1,3,5-triazine
SMILESC1=N[C+](c2ncncn2)N=C1
InChIInChI=1S/C6H4N5/c1-2-9-5(8-1)6-10-3-7-4-11-6/h1-4H/q+1
InChIKeyAMAXSHQATCQNPC-UHFFFAOYSA-N
MW146.13 g/mol
LogP-0.14
Rot. Bonds1

About 2-imidazol-2-ylium-2-yl-1,3,5-triazine

2-imidazol-2-ylium-2-yl-1,3,5-triazine (PubChem CID 56997202) has the molecular formula C6H4N5+ and a molecular weight of 146.13 g/mol. Its IUPAC name is 2-imidazol-2-ylium-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-imidazol-2-ylium-2-yl-1,3,5-triazine
PubChem CID56997202
Molecular FormulaC6H4N5+
Molecular Weight146.13 g/mol
Exact Mass146.05
IUPAC Name2-imidazol-2-ylium-2-yl-1,3,5-triazine
SMILESC1=N[C+](c2ncncn2)N=C1
InChIInChI=1S/C6H4N5/c1-2-9-5(8-1)6-10-3-7-4-11-6/h1-4H/q+1
InChIKeyAMAXSHQATCQNPC-UHFFFAOYSA-N
XLogP-0.14
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-imidazol-2-ylium-2-yl-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-imidazol-2-ylium-2-yl-1,3,5-triazine?
The IUPAC name of 2-imidazol-2-ylium-2-yl-1,3,5-triazine (CID 56997202) is 2-imidazol-2-ylium-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-imidazol-2-ylium-2-yl-1,3,5-triazine?
The canonical SMILES for 2-imidazol-2-ylium-2-yl-1,3,5-triazine is C1=N[C+](c2ncncn2)N=C1.
What is the InChIKey of 2-imidazol-2-ylium-2-yl-1,3,5-triazine?
The InChIKey is AMAXSHQATCQNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N5/c1-2-9-5(8-1)6-10-3-7-4-11-6/h1-4H/q+1.
What are the key properties of 2-imidazol-2-ylium-2-yl-1,3,5-triazine?
2-imidazol-2-ylium-2-yl-1,3,5-triazine has a molecular weight of 146.13 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-2-ylium-2-yl-1,3,5-triazine is sourced from PubChem (CID 56997202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).