4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol

C14H11N5O — CID 3115093

IUPAC4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol
SMILESOc1ccc(/N=N/c2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11N5O/c20-12-8-6-11(7-9-12)16-18-14-15-13(17-19-14)10-4-2-1-3-5-10/h1-9,20H,(H,15,17,19)/b18-16+
InChIKeyWJUBJZHMRWXSHL-FBMGVBCBSA-N
MW265.28 g/mol
LogP3.59
Rot. Bonds3

About 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol

4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol (PubChem CID 3115093) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol
PubChem CID3115093
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol
SMILESOc1ccc(/N=N/c2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11N5O/c20-12-8-6-11(7-9-12)16-18-14-15-13(17-19-14)10-4-2-1-3-5-10/h1-9,20H,(H,15,17,19)/b18-16+
InChIKeyWJUBJZHMRWXSHL-FBMGVBCBSA-N
XLogP3.59
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.59
H-Bond Donors ≤ 52
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

(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
CID 2768020
4-[5-(4-Methoxy-phenyl)-1H-[1,2,4]triazol-3-ylazo]-phenol
CID 2839885
4-[5-(4-Bromo-phenyl)-1H-[1,2,4]triazol-3-ylazo]-phenol
CID 2840108
4-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl}phenol
CID 2850610
4-{[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]diazenyl}phenol
CID 3115142
4-[(5-methyl-1H-1,2,4-triazol-3-yl)hydrazinylidene]cyclohexa-2,5-dien-1-one
CID 4025252
4-(5-amino-1H-1,2,4-triazol-3-yl)phenol
CID 135629271
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]ethenyl]phenyl]acetamide
CID 135590194
2-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]aniline
CID 46397968
3-(5-amino-4H-1,2,4-triazol-3-yl)phenol
CID 20114102

Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol?
The IUPAC name of 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol (CID 3115093) is 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol.
What is the SMILES notation for 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol?
The canonical SMILES for 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol is Oc1ccc(/N=N/c2n[nH]c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol?
The InChIKey is WJUBJZHMRWXSHL-FBMGVBCBSA-N. The full InChI is InChI=1S/C14H11N5O/c20-12-8-6-11(7-9-12)16-18-14-15-13(17-19-14)10-4-2-1-3-5-10/h1-9,20H,(H,15,17,19)/b18-16+.
What are the key properties of 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol?
4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol has a molecular weight of 265.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]phenol is sourced from PubChem (CID 3115093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).