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

C12H9ClN6 — CID 90723012

IUPAC(4-chlorophenyl)methyl-(7H-purin-6-yl)diazene
SMILESClc1ccc(C/N=N/c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H9ClN6/c13-9-3-1-8(2-4-9)5-18-19-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)/b19-18+
InChIKeyDBYZGTSSINKTAX-VHEBQXMUSA-N
MW272.70 g/mol
LogP3.29
Rot. Bonds3

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

(4-chlorophenyl)methyl-(7H-purin-6-yl)diazene (PubChem CID 90723012) has the molecular formula C12H9ClN6 and a molecular weight of 272.70 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-(7H-purin-6-yl)diazene.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-(7H-purin-6-yl)diazene
PubChem CID90723012
Molecular FormulaC12H9ClN6
Molecular Weight272.70 g/mol
Exact Mass272.06
IUPAC Name(4-chlorophenyl)methyl-(7H-purin-6-yl)diazene
SMILESClc1ccc(C/N=N/c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H9ClN6/c13-9-3-1-8(2-4-9)5-18-19-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)/b19-18+
InChIKeyDBYZGTSSINKTAX-VHEBQXMUSA-N
XLogP3.29
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.29
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'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-(7H-purin-6-yl)diazene?
The IUPAC name of (4-chlorophenyl)methyl-(7H-purin-6-yl)diazene (CID 90723012) is (4-chlorophenyl)methyl-(7H-purin-6-yl)diazene.
What is the SMILES notation for (4-chlorophenyl)methyl-(7H-purin-6-yl)diazene?
The canonical SMILES for (4-chlorophenyl)methyl-(7H-purin-6-yl)diazene is Clc1ccc(C/N=N/c2ncnc3nc[nH]c23)cc1.
What is the InChIKey of (4-chlorophenyl)methyl-(7H-purin-6-yl)diazene?
The InChIKey is DBYZGTSSINKTAX-VHEBQXMUSA-N. The full InChI is InChI=1S/C12H9ClN6/c13-9-3-1-8(2-4-9)5-18-19-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)/b19-18+.
What are the key properties of (4-chlorophenyl)methyl-(7H-purin-6-yl)diazene?
(4-chlorophenyl)methyl-(7H-purin-6-yl)diazene has a molecular weight of 272.70 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-(7H-purin-6-yl)diazene is sourced from PubChem (CID 90723012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).