5-methylphenazin-5-ium-1,3-diamine chloride

C13H13ClN4 — CID 14132

IUPAC5-methylphenazin-5-ium-1,3-diamine chloride
SMILESC[n+]1c2ccccc2nc2c(N)cc(N)cc21.[Cl-]
InChIInChI=1S/C13H12N4.ClH/c1-17-11-5-3-2-4-10(11)16-13-9(15)6-8(14)7-12(13)17;/h2-7H,1H3,(H3,14,15);1H
InChIKeyULNMZMBBJRBGLM-UHFFFAOYSA-N
MW260.73 g/mol
LogP-1.62
Rot. Bonds

About 5-methylphenazin-5-ium-1,3-diamine chloride

5-methylphenazin-5-ium-1,3-diamine chloride (PubChem CID 14132) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 5-methylphenazin-5-ium-1,3-diamine chloride.

Molecular Properties

Compound Name5-methylphenazin-5-ium-1,3-diamine chloride
PubChem CID14132
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name5-methylphenazin-5-ium-1,3-diamine chloride
SMILESC[n+]1c2ccccc2nc2c(N)cc(N)cc21.[Cl-]
InChIInChI=1S/C13H12N4.ClH/c1-17-11-5-3-2-4-10(11)16-13-9(15)6-8(14)7-12(13)17;/h2-7H,1H3,(H3,14,15);1H
InChIKeyULNMZMBBJRBGLM-UHFFFAOYSA-N
XLogP-1.62
TPSA68.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-methylphenazin-5-ium-1,3-diamine chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenazine
CID 4757
2,3-Diaminophenazine
CID 410099
Neutral Red
CID 11105
C.I. Basic Red 2
CID 2723800
Phenazine Methosulfate
CID 9285
Phenosafranine
CID 65732
5-Aminoquinoxaline
CID 85494
2,3-Dimethylquinoxalin-6-amine
CID 146053
6-Quinoxalinamine
CID 237859
Phenazinium, 2-amino-8-(dimethylamino)-10-phenyl-, chloride (1:1)
CID 75442
Janus Green B
CID 76123
N8,N8,3-Trimethyl-2,8-phenazinediamine
CID 11106

Frequently Asked Questions

What is the IUPAC name of 5-methylphenazin-5-ium-1,3-diamine chloride?
The IUPAC name of 5-methylphenazin-5-ium-1,3-diamine chloride (CID 14132) is 5-methylphenazin-5-ium-1,3-diamine chloride.
What is the SMILES notation for 5-methylphenazin-5-ium-1,3-diamine chloride?
The canonical SMILES for 5-methylphenazin-5-ium-1,3-diamine chloride is C[n+]1c2ccccc2nc2c(N)cc(N)cc21.[Cl-].
What is the InChIKey of 5-methylphenazin-5-ium-1,3-diamine chloride?
The InChIKey is ULNMZMBBJRBGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4.ClH/c1-17-11-5-3-2-4-10(11)16-13-9(15)6-8(14)7-12(13)17;/h2-7H,1H3,(H3,14,15);1H.
What are the key properties of 5-methylphenazin-5-ium-1,3-diamine chloride?
5-methylphenazin-5-ium-1,3-diamine chloride has a molecular weight of 260.73 g/mol, XLogP of -1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylphenazin-5-ium-1,3-diamine chloride is sourced from PubChem (CID 14132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).