N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine

C15H12N6 — CID 19606814

IUPACN-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine
SMILESc1ccc(/N=N/c2ccc(Nc3ncncn3)cc2)cc1
InChIInChI=1S/C15H12N6/c1-2-4-13(5-3-1)20-21-14-8-6-12(7-9-14)19-15-17-10-16-11-18-15/h1-11H,(H,16,17,18,19)/b21-20+
InChIKeyJVQYVHMYVBOTTI-QZQOTICOSA-N
MW276.30 g/mol
LogP4.03
Rot. Bonds4

About N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine

N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine (PubChem CID 19606814) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine
PubChem CID19606814
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC NameN-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine
SMILESc1ccc(/N=N/c2ccc(Nc3ncncn3)cc2)cc1
InChIInChI=1S/C15H12N6/c1-2-4-13(5-3-1)20-21-14-8-6-12(7-9-14)19-15-17-10-16-11-18-15/h1-11H,(H,16,17,18,19)/b21-20+
InChIKeyJVQYVHMYVBOTTI-QZQOTICOSA-N
XLogP4.03
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine (CID 19606814) is N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine is c1ccc(/N=N/c2ccc(Nc3ncncn3)cc2)cc1.
What is the InChIKey of N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is JVQYVHMYVBOTTI-QZQOTICOSA-N. The full InChI is InChI=1S/C15H12N6/c1-2-4-13(5-3-1)20-21-14-8-6-12(7-9-14)19-15-17-10-16-11-18-15/h1-11H,(H,16,17,18,19)/b21-20+.
What are the key properties of N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine?
N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 276.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19606814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).