4-phenyldiazenylnaphthalen-1-amine;hydrochloride

C16H14ClN3 — CID 3086171

IUPAC4-phenyldiazenylnaphthalen-1-amine;hydrochloride
SMILESCl.Nc1ccc(/N=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C16H13N3.ClH/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12;/h1-11H,17H2;1H/b19-18+;
InChIKeyCBIKBLARWHZKSA-LTRPLHCISA-N
MW283.76 g/mol
LogP5.26
Rot. Bonds2

About 4-phenyldiazenylnaphthalen-1-amine;hydrochloride

4-phenyldiazenylnaphthalen-1-amine;hydrochloride (PubChem CID 3086171) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-phenyldiazenylnaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name4-phenyldiazenylnaphthalen-1-amine;hydrochloride
PubChem CID3086171
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-phenyldiazenylnaphthalen-1-amine;hydrochloride
SMILESCl.Nc1ccc(/N=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C16H13N3.ClH/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12;/h1-11H,17H2;1H/b19-18+;
InChIKeyCBIKBLARWHZKSA-LTRPLHCISA-N
XLogP5.26
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.76
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-phenyldiazenylnaphthalen-1-amine;hydrochloride 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-phenyldiazenylnaphthalen-1-amine;hydrochloride?
The IUPAC name of 4-phenyldiazenylnaphthalen-1-amine;hydrochloride (CID 3086171) is 4-phenyldiazenylnaphthalen-1-amine;hydrochloride.
What is the SMILES notation for 4-phenyldiazenylnaphthalen-1-amine;hydrochloride?
The canonical SMILES for 4-phenyldiazenylnaphthalen-1-amine;hydrochloride is Cl.Nc1ccc(/N=N/c2ccccc2)c2ccccc12.
What is the InChIKey of 4-phenyldiazenylnaphthalen-1-amine;hydrochloride?
The InChIKey is CBIKBLARWHZKSA-LTRPLHCISA-N. The full InChI is InChI=1S/C16H13N3.ClH/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12;/h1-11H,17H2;1H/b19-18+;.
What are the key properties of 4-phenyldiazenylnaphthalen-1-amine;hydrochloride?
4-phenyldiazenylnaphthalen-1-amine;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenylnaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 3086171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).