hydron;phenazine

C12H9N2+ — CID 175446889

IUPAChydron;phenazine
SMILES[H+].c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H/p+1
InChIKeyPCNDJXKNXGMECE-UHFFFAOYSA-O
MW181.22 g/mol
LogP2.90
Rot. Bonds

About hydron;phenazine

hydron;phenazine (PubChem CID 175446889) has the molecular formula C12H9N2+ and a molecular weight of 181.22 g/mol. Its IUPAC name is hydron;phenazine.

Molecular Properties

Compound Namehydron;phenazine
PubChem CID175446889
Molecular FormulaC12H9N2+
Molecular Weight181.22 g/mol
Exact Mass181.08
IUPAC Namehydron;phenazine
SMILES[H+].c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H/p+1
InChIKeyPCNDJXKNXGMECE-UHFFFAOYSA-O
XLogP2.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;phenazine?
The IUPAC name of hydron;phenazine (CID 175446889) is hydron;phenazine.
What is the SMILES notation for hydron;phenazine?
The canonical SMILES for hydron;phenazine is [H+].c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of hydron;phenazine?
The InChIKey is PCNDJXKNXGMECE-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H/p+1.
What are the key properties of hydron;phenazine?
hydron;phenazine has a molecular weight of 181.22 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;phenazine is sourced from PubChem (CID 175446889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).