(1-benzyltriazol-4-yl)-phenyldiazene

C15H13N5 — CID 162418211

IUPAC(1-benzyltriazol-4-yl)-phenyldiazene
SMILESc1ccc(Cn2cc(/N=N/c3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N5/c1-3-7-13(8-4-1)11-20-12-15(18-19-20)17-16-14-9-5-2-6-10-14/h1-10,12H,11H2/b17-16+
InChIKeyOWPAPGBBKIHKLZ-WUKNDPDISA-N
MW263.30 g/mol
LogP3.74
Rot. Bonds4

About (1-benzyltriazol-4-yl)-phenyldiazene

(1-benzyltriazol-4-yl)-phenyldiazene (PubChem CID 162418211) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-phenyldiazene.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-phenyldiazene
PubChem CID162418211
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name(1-benzyltriazol-4-yl)-phenyldiazene
SMILESc1ccc(Cn2cc(/N=N/c3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N5/c1-3-7-13(8-4-1)11-20-12-15(18-19-20)17-16-14-9-5-2-6-10-14/h1-10,12H,11H2/b17-16+
InChIKeyOWPAPGBBKIHKLZ-WUKNDPDISA-N
XLogP3.74
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
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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Related Compounds

1-benzyl-4-fluorotriazole
CID 102109152
1,4-dibenzyltriazole
CID 56663361
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-4-thiophen-2-yltriazole
CID 11715687
2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane
CID 102161279
1-benzyl-4-phenylselanyltriazole
CID 102453172
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
1-benzyl-4-(2-phenylethynyl)triazole
CID 71424297
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-(1-benzyltriazol-4-yl)-N,N-bis[1-(1-benzyltriazol-4-yl)ethyl]ethanamine
CID 175127031

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-phenyldiazene?
The IUPAC name of (1-benzyltriazol-4-yl)-phenyldiazene (CID 162418211) is (1-benzyltriazol-4-yl)-phenyldiazene.
What is the SMILES notation for (1-benzyltriazol-4-yl)-phenyldiazene?
The canonical SMILES for (1-benzyltriazol-4-yl)-phenyldiazene is c1ccc(Cn2cc(/N=N/c3ccccc3)nn2)cc1.
What is the InChIKey of (1-benzyltriazol-4-yl)-phenyldiazene?
The InChIKey is OWPAPGBBKIHKLZ-WUKNDPDISA-N. The full InChI is InChI=1S/C15H13N5/c1-3-7-13(8-4-1)11-20-12-15(18-19-20)17-16-14-9-5-2-6-10-14/h1-10,12H,11H2/b17-16+.
What are the key properties of (1-benzyltriazol-4-yl)-phenyldiazene?
(1-benzyltriazol-4-yl)-phenyldiazene has a molecular weight of 263.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-phenyldiazene is sourced from PubChem (CID 162418211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).