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

C15H13N5O2 — CID 2839885

IUPAC4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol
SMILESCOc1ccc(-c2nc(/N=N/c3ccc(O)cc3)n[nH]2)cc1
InChIInChI=1S/C15H13N5O2/c1-22-13-8-2-10(3-9-13)14-16-15(20-18-14)19-17-11-4-6-12(21)7-5-11/h2-9,21H,1H3,(H,16,18,20)/b19-17+
InChIKeyQXOSWWINRFHISZ-HTXNQAPBSA-N
MW295.30 g/mol
LogP3.60
Rot. Bonds4

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

4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol (PubChem CID 2839885) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol.

Molecular Properties

Compound Name4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol
PubChem CID2839885
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol
SMILESCOc1ccc(-c2nc(/N=N/c3ccc(O)cc3)n[nH]2)cc1
InChIInChI=1S/C15H13N5O2/c1-22-13-8-2-10(3-9-13)14-16-15(20-18-14)19-17-11-4-6-12(21)7-5-11/h2-9,21H,1H3,(H,16,18,20)/b19-17+
InChIKeyQXOSWWINRFHISZ-HTXNQAPBSA-N
XLogP3.60
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.60
H-Bond Donors ≤ 52
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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Related Compounds

5-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 781002
Asp-6537
CID 9922739
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-{[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]diazenyl}phenol
CID 3115142
2-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-2H-[1,2,4]triazol-3-yl}-phenol
CID 135498001
3-[Dideuterio(fluoro)methoxy]-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
CID 168283012
3-(111C)methoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
CID 168287004
2-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]aniline
CID 46397968
4-(1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)-1H-1,2,4-triazol-5-yl)phenol
CID 142920136
3-Methoxy-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 12325068

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
The IUPAC name of 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol (CID 2839885) is 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol.
What is the SMILES notation for 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
The canonical SMILES for 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol is COc1ccc(-c2nc(/N=N/c3ccc(O)cc3)n[nH]2)cc1.
What is the InChIKey of 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
The InChIKey is QXOSWWINRFHISZ-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-13-8-2-10(3-9-13)14-16-15(20-18-14)19-17-11-4-6-12(21)7-5-11/h2-9,21H,1H3,(H,16,18,20)/b19-17+.
What are the key properties of 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol has a molecular weight of 295.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol is sourced from PubChem (CID 2839885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).