3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine

C12H13N5 — CID 154162390

IUPAC3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine
SMILESCc1ccc(/N=N/c2ccc(N)nc2N)cc1
InChIInChI=1S/C12H13N5/c1-8-2-4-9(5-3-8)16-17-10-6-7-11(13)15-12(10)14/h2-7H,1H3,(H4,13,14,15)/b17-16+
InChIKeyNUROWKDFVATRGT-WUKNDPDISA-N
MW227.27 g/mol
LogP2.97
Rot. Bonds2

About 3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine

3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine (PubChem CID 154162390) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine
PubChem CID154162390
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine
SMILESCc1ccc(/N=N/c2ccc(N)nc2N)cc1
InChIInChI=1S/C12H13N5/c1-8-2-4-9(5-3-8)16-17-10-6-7-11(13)15-12(10)14/h2-7H,1H3,(H4,13,14,15)/b17-16+
InChIKeyNUROWKDFVATRGT-WUKNDPDISA-N
XLogP2.97
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.97
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

Phenazopyridine
CID 4756
Phenazopyridine hydrochloride
CID 8691
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
5,6,7,8-Tetrahydroquinolin-2-amine
CID 10034772
4-Methyl-6-propylpyridin-2-amine
CID 9855524
(E)-4-Methyl-6-(prop-1-enyl)pyridin-2-amine
CID 42625452
4-Methyl-6-(2-methylprop-1-enyl)pyridin-2-amine
CID 42625621
N~3~-Benzylpyridine-2,3-diamine
CID 10397869
(4-Dimethylamino-benzyl)-(6-methyl-pyridin-2-yl)-amine
CID 975714
6-Amino-2,3-dimethylpyridine
CID 262484
6-Phenylpyridin-2-amine
CID 598430
N-(4-methylphenyl)-N'-(6-methylpyridin-2-yl)urea
CID 3966223

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine?
The IUPAC name of 3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine (CID 154162390) is 3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine.
What is the SMILES notation for 3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine?
The canonical SMILES for 3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine is Cc1ccc(/N=N/c2ccc(N)nc2N)cc1.
What is the InChIKey of 3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine?
The InChIKey is NUROWKDFVATRGT-WUKNDPDISA-N. The full InChI is InChI=1S/C12H13N5/c1-8-2-4-9(5-3-8)16-17-10-6-7-11(13)15-12(10)14/h2-7H,1H3,(H4,13,14,15)/b17-16+.
What are the key properties of 3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine?
3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine has a molecular weight of 227.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)diazenyl]pyridine-2,6-diamine is sourced from PubChem (CID 154162390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).