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

C15H13N5O — CID 3115142

IUPAC4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol
SMILESCc1ccc(-c2nc(/N=N/c3ccc(O)cc3)n[nH]2)cc1
InChIInChI=1S/C15H13N5O/c1-10-2-4-11(5-3-10)14-16-15(20-18-14)19-17-12-6-8-13(21)9-7-12/h2-9,21H,1H3,(H,16,18,20)/b19-17+
InChIKeyZFISAADNUJLVHY-HTXNQAPBSA-N
MW279.30 g/mol
LogP3.90
Rot. Bonds3

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

4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol (PubChem CID 3115142) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol.

Molecular Properties

Compound Name4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol
PubChem CID3115142
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol
SMILESCc1ccc(-c2nc(/N=N/c3ccc(O)cc3)n[nH]2)cc1
InChIInChI=1S/C15H13N5O/c1-10-2-4-11(5-3-10)14-16-15(20-18-14)19-17-12-6-8-13(21)9-7-12/h2-9,21H,1H3,(H,16,18,20)/b19-17+
InChIKeyZFISAADNUJLVHY-HTXNQAPBSA-N
XLogP3.90
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.90
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-[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-(5-Phenyl-4H-[1,2,4]triazol-3-ylazo)-phenol
CID 3115093
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
3-(5-amino-4H-1,2,4-triazol-3-yl)phenol
CID 20114102
2-(5-amino-4H-1,2,4-triazol-3-yl)phenol
CID 135649820
4-[3-(4-Tert-butylphenyl)-5-(dimethylamino)-1,2,4-triazol-4-yl]phenol
CID 11667199

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
The IUPAC name of 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol (CID 3115142) is 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol.
What is the SMILES notation for 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
The canonical SMILES for 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol is Cc1ccc(-c2nc(/N=N/c3ccc(O)cc3)n[nH]2)cc1.
What is the InChIKey of 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
The InChIKey is ZFISAADNUJLVHY-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10-2-4-11(5-3-10)14-16-15(20-18-14)19-17-12-6-8-13(21)9-7-12/h2-9,21H,1H3,(H,16,18,20)/b19-17+.
What are the key properties of 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol has a molecular weight of 279.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol is sourced from PubChem (CID 3115142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).