3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

C11H12ClN5 — CID 8691

IUPAC3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
SMILESCl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H/b16-15+;
InChIKeyQQBPIHBUCMDKFG-GEEYTBSJSA-N
MW249.71 g/mol
LogP3.08
Rot. Bonds2

About 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

3-phenyldiazenylpyridine-2,6-diamine;hydrochloride (PubChem CID 8691) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
PubChem CID8691
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC Name3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
SMILESCl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H/b16-15+;
InChIKeyQQBPIHBUCMDKFG-GEEYTBSJSA-N
XLogP3.08
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride 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

2,6-Diaminopyridine
CID 8861
2-Amino-6-methylpyridine
CID 15765
Phenazopyridine
CID 4756
Pyridine, 3-((o-chlorophenyl)azo)-2,6-diamino-
CID 97205
Quinoxaline-2,3-diamine
CID 241488
2-N-phenylpyridine-2,3-diamine
CID 10679091
2,6-Diamino-3-((pyridin-3-yl)azo)pyridine
CID 21909555
N,N'-diphenylpyridine-2,6-diamine
CID 1311254
6-Styrylpyridin-2-amine
CID 14590355
2,6-Diamino-3-((2,5-dichlorophenyl)azo)pyridine
CID 97206
2,4,6-Triamino-5-phenylazopyrimidine
CID 99627
2,3,6-Triaminopyridine
CID 78015

Frequently Asked Questions

What is the IUPAC name of 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The IUPAC name of 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride (CID 8691) is 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride.
What is the SMILES notation for 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The canonical SMILES for 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride is Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1.
What is the InChIKey of 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The InChIKey is QQBPIHBUCMDKFG-GEEYTBSJSA-N. The full InChI is InChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H/b16-15+;.
What are the key properties of 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
3-phenyldiazenylpyridine-2,6-diamine;hydrochloride has a molecular weight of 249.71 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride is sourced from PubChem (CID 8691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).