phenazin-10-ium-1-ylmethanediamine chloride

C13H13ClN4 — CID 23447025

IUPACphenazin-10-ium-1-ylmethanediamine chloride
SMILESNC(N)c1cccc2nc3ccccc3[nH+]c12.[Cl-]
InChIInChI=1S/C13H12N4.ClH/c14-13(15)8-4-3-7-11-12(8)17-10-6-2-1-5-9(10)16-11;/h1-7,13H,14-15H2;1H
InChIKeyXENPFVQKDICWOI-UHFFFAOYSA-N
MW260.73 g/mol
LogP-1.88
Rot. Bonds1

About phenazin-10-ium-1-ylmethanediamine chloride

phenazin-10-ium-1-ylmethanediamine chloride (PubChem CID 23447025) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is phenazin-10-ium-1-ylmethanediamine chloride.

Molecular Properties

Compound Namephenazin-10-ium-1-ylmethanediamine chloride
PubChem CID23447025
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Namephenazin-10-ium-1-ylmethanediamine chloride
SMILESNC(N)c1cccc2nc3ccccc3[nH+]c12.[Cl-]
InChIInChI=1S/C13H12N4.ClH/c14-13(15)8-4-3-7-11-12(8)17-10-6-2-1-5-9(10)16-11;/h1-7,13H,14-15H2;1H
InChIKeyXENPFVQKDICWOI-UHFFFAOYSA-N
XLogP-1.88
TPSA79.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenazin-10-ium-1-ylmethanediamine chloride?
The IUPAC name of phenazin-10-ium-1-ylmethanediamine chloride (CID 23447025) is phenazin-10-ium-1-ylmethanediamine chloride.
What is the SMILES notation for phenazin-10-ium-1-ylmethanediamine chloride?
The canonical SMILES for phenazin-10-ium-1-ylmethanediamine chloride is NC(N)c1cccc2nc3ccccc3[nH+]c12.[Cl-].
What is the InChIKey of phenazin-10-ium-1-ylmethanediamine chloride?
The InChIKey is XENPFVQKDICWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4.ClH/c14-13(15)8-4-3-7-11-12(8)17-10-6-2-1-5-9(10)16-11;/h1-7,13H,14-15H2;1H.
What are the key properties of phenazin-10-ium-1-ylmethanediamine chloride?
phenazin-10-ium-1-ylmethanediamine chloride has a molecular weight of 260.73 g/mol, XLogP of -1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenazin-10-ium-1-ylmethanediamine chloride is sourced from PubChem (CID 23447025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).