(4-methylphenyl)methyl-(7H-purin-6-yl)diazene

C13H12N6 — CID 91897077

IUPAC(4-methylphenyl)methyl-(7H-purin-6-yl)diazene
SMILESCc1ccc(C/N=N/c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H12N6/c1-9-2-4-10(5-3-9)6-18-19-13-11-12(15-7-14-11)16-8-17-13/h2-5,7-8H,6H2,1H3,(H,14,15,16,17)/b19-18+
InChIKeyQGSIARNBIQLLGD-VHEBQXMUSA-N
MW252.28 g/mol
LogP2.95
Rot. Bonds3

About (4-methylphenyl)methyl-(7H-purin-6-yl)diazene

(4-methylphenyl)methyl-(7H-purin-6-yl)diazene (PubChem CID 91897077) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is (4-methylphenyl)methyl-(7H-purin-6-yl)diazene.

Molecular Properties

Compound Name(4-methylphenyl)methyl-(7H-purin-6-yl)diazene
PubChem CID91897077
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name(4-methylphenyl)methyl-(7H-purin-6-yl)diazene
SMILESCc1ccc(C/N=N/c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H12N6/c1-9-2-4-10(5-3-9)6-18-19-13-11-12(15-7-14-11)16-8-17-13/h2-5,7-8H,6H2,1H3,(H,14,15,16,17)/b19-18+
InChIKeyQGSIARNBIQLLGD-VHEBQXMUSA-N
XLogP2.95
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
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 (4-methylphenyl)methyl-(7H-purin-6-yl)diazene 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

(4-chlorophenyl)methyl-(7H-purin-6-yl)diazene
CID 90723012
(4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene
CID 170922223
1-(7H-purin-6-yldiazenyl)naphthalen-2-ol
CID 146350466
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
(4-methylphenyl)methyl-phenyldiazene
CID 13049562
butane;6-methyl-7H-purine;molecular hydrogen
CID 176672548
N-(4-methylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
CID 980154
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162
6-(2-fluoro-5-methylphenyl)-7H-purine
CID 56859242
6-[(4-methylsulfanylphenyl)methylsulfanyl]-7H-purine
CID 146314022
4-(4-aminophenyl)aniline;7H-purin-6-amine
CID 160907606
6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine
CID 154330131

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl-(7H-purin-6-yl)diazene?
The IUPAC name of (4-methylphenyl)methyl-(7H-purin-6-yl)diazene (CID 91897077) is (4-methylphenyl)methyl-(7H-purin-6-yl)diazene.
What is the SMILES notation for (4-methylphenyl)methyl-(7H-purin-6-yl)diazene?
The canonical SMILES for (4-methylphenyl)methyl-(7H-purin-6-yl)diazene is Cc1ccc(C/N=N/c2ncnc3nc[nH]c23)cc1.
What is the InChIKey of (4-methylphenyl)methyl-(7H-purin-6-yl)diazene?
The InChIKey is QGSIARNBIQLLGD-VHEBQXMUSA-N. The full InChI is InChI=1S/C13H12N6/c1-9-2-4-10(5-3-9)6-18-19-13-11-12(15-7-14-11)16-8-17-13/h2-5,7-8H,6H2,1H3,(H,14,15,16,17)/b19-18+.
What are the key properties of (4-methylphenyl)methyl-(7H-purin-6-yl)diazene?
(4-methylphenyl)methyl-(7H-purin-6-yl)diazene has a molecular weight of 252.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl-(7H-purin-6-yl)diazene is sourced from PubChem (CID 91897077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).