3-phenyldiazenylpyridine-2,6-diamine

C11H11N5 — CID 4756

💊View drug profile → phenazopyridine
IUPAC3-phenyldiazenylpyridine-2,6-diamine
SMILESNc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+
InChIKeyQPFYXYFORQJZEC-FOCLMDBBSA-N
MW213.24 g/mol
LogP2.66
Rot. Bonds2

About 3-phenyldiazenylpyridine-2,6-diamine

3-phenyldiazenylpyridine-2,6-diamine (PubChem CID 4756) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-phenyldiazenylpyridine-2,6-diamine.

Molecular Properties

Compound Name3-phenyldiazenylpyridine-2,6-diamine
PubChem CID4756
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name3-phenyldiazenylpyridine-2,6-diamine
SMILESNc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+
InChIKeyQPFYXYFORQJZEC-FOCLMDBBSA-N
XLogP2.66
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.66
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'}

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Related Compounds

2,6-Diaminopyridine
CID 8861
2-Amino-6-methylpyridine
CID 15765
Phenazopyridine hydrochloride
CID 8691
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
3H-pyrazolo[4,3-b]quinoxalin-3-amine
CID 23641603
2-(Phenylazo)pyridine
CID 4313470
6-Styrylpyridin-2-amine
CID 14590355
2,6-Diamino-3-((2,5-dichlorophenyl)azo)pyridine
CID 97206

Frequently Asked Questions

What is the IUPAC name of 3-phenyldiazenylpyridine-2,6-diamine?
The IUPAC name of 3-phenyldiazenylpyridine-2,6-diamine (CID 4756) is 3-phenyldiazenylpyridine-2,6-diamine.
What is the SMILES notation for 3-phenyldiazenylpyridine-2,6-diamine?
The canonical SMILES for 3-phenyldiazenylpyridine-2,6-diamine is Nc1ccc(/N=N/c2ccccc2)c(N)n1.
What is the InChIKey of 3-phenyldiazenylpyridine-2,6-diamine?
The InChIKey is QPFYXYFORQJZEC-FOCLMDBBSA-N. The full InChI is InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+.
What are the key properties of 3-phenyldiazenylpyridine-2,6-diamine?
3-phenyldiazenylpyridine-2,6-diamine has a molecular weight of 213.24 g/mol, XLogP of 2.66, 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 is sourced from PubChem (CID 4756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).