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

C14H10ClN5O — CID 2850610

IUPAC4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol
SMILESOc1ccc(/N=N/c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C14H10ClN5O/c15-10-3-1-9(2-4-10)13-16-14(20-18-13)19-17-11-5-7-12(21)8-6-11/h1-8,21H,(H,16,18,20)/b19-17+
InChIKeyDHNYBJUMWGIDCH-HTXNQAPBSA-N
MW299.72 g/mol
LogP4.25
Rot. Bonds3

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

4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol (PubChem CID 2850610) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol
PubChem CID2850610
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol
SMILESOc1ccc(/N=N/c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C14H10ClN5O/c15-10-3-1-9(2-4-10)13-16-14(20-18-13)19-17-11-5-7-12(21)8-6-11/h1-8,21H,(H,16,18,20)/b19-17+
InChIKeyDHNYBJUMWGIDCH-HTXNQAPBSA-N
XLogP4.25
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.25
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

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-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
4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 135449099
4-chloro-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 137229837
4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol
CID 127025932
2-{3-[2-(4-chlorophenyl)vinyl]-1H-1,2,4-triazol-5-yl}phenol
CID 5294235
2-(5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol
CID 918288
4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
CID 53476181
3-[5-(4-Chloro-3-trifluoromethyl-phenylamino)-4h[1,2,4]triazol-3-yl]-phenol
CID 59135264
4-[5-(4-chloro-3-(trifluoromethyl)-phenyl)-4H-1,2,4-triazol-3-ylamino]phenol
CID 59135403

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
The IUPAC name of 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol (CID 2850610) is 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol is Oc1ccc(/N=N/c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
The InChIKey is DHNYBJUMWGIDCH-HTXNQAPBSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-10-3-1-9(2-4-10)13-16-14(20-18-13)19-17-11-5-7-12(21)8-6-11/h1-8,21H,(H,16,18,20)/b19-17+.
What are the key properties of 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol?
4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol has a molecular weight of 299.72 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]phenol is sourced from PubChem (CID 2850610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).