4-(benzylamino)quinazoline-6-diazonium

C15H12N5+ — CID 134883238

IUPAC4-(benzylamino)quinazoline-6-diazonium
SMILESN#[N+]c1ccc2ncnc(NCc3ccccc3)c2c1
InChIInChI=1S/C15H12N5/c16-20-12-6-7-14-13(8-12)15(19-10-18-14)17-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18,19)/q+1
InChIKeyHZCNORPITGTQRN-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.73
Rot. Bonds3

About 4-(benzylamino)quinazoline-6-diazonium

4-(benzylamino)quinazoline-6-diazonium (PubChem CID 134883238) has the molecular formula C15H12N5+ and a molecular weight of 262.30 g/mol. Its IUPAC name is 4-(benzylamino)quinazoline-6-diazonium.

Molecular Properties

Compound Name4-(benzylamino)quinazoline-6-diazonium
PubChem CID134883238
Molecular FormulaC15H12N5+
Molecular Weight262.30 g/mol
Exact Mass262.11
IUPAC Name4-(benzylamino)quinazoline-6-diazonium
SMILESN#[N+]c1ccc2ncnc(NCc3ccccc3)c2c1
InChIInChI=1S/C15H12N5/c16-20-12-6-7-14-13(8-12)15(19-10-18-14)17-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18,19)/q+1
InChIKeyHZCNORPITGTQRN-UHFFFAOYSA-N
XLogP3.73
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

Analyze 4-(benzylamino)quinazoline-6-diazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)quinazoline-6-diazonium?
The IUPAC name of 4-(benzylamino)quinazoline-6-diazonium (CID 134883238) is 4-(benzylamino)quinazoline-6-diazonium.
What is the SMILES notation for 4-(benzylamino)quinazoline-6-diazonium?
The canonical SMILES for 4-(benzylamino)quinazoline-6-diazonium is N#[N+]c1ccc2ncnc(NCc3ccccc3)c2c1.
What is the InChIKey of 4-(benzylamino)quinazoline-6-diazonium?
The InChIKey is HZCNORPITGTQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N5/c16-20-12-6-7-14-13(8-12)15(19-10-18-14)17-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18,19)/q+1.
What are the key properties of 4-(benzylamino)quinazoline-6-diazonium?
4-(benzylamino)quinazoline-6-diazonium has a molecular weight of 262.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)quinazoline-6-diazonium is sourced from PubChem (CID 134883238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).