4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide

C17H16N6O2 — CID 139212617

IUPAC4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide
SMILESNC(=O)c1ccc(/N=N/c2cc(CCn3ccnn3)ccc2O)cc1
InChIInChI=1S/C17H16N6O2/c18-17(25)13-2-4-14(5-3-13)20-21-15-11-12(1-6-16(15)24)7-9-23-10-8-19-22-23/h1-6,8,10-11,24H,7,9H2,(H2,18,25)/b21-20+
InChIKeyYKOCJVFEAHNHQR-QZQOTICOSA-N
MW336.36 g/mol
LogP2.74
Rot. Bonds6

About 4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide

4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide (PubChem CID 139212617) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide.

Molecular Properties

Compound Name4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide
PubChem CID139212617
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide
SMILESNC(=O)c1ccc(/N=N/c2cc(CCn3ccnn3)ccc2O)cc1
InChIInChI=1S/C17H16N6O2/c18-17(25)13-2-4-14(5-3-13)20-21-15-11-12(1-6-16(15)24)7-9-23-10-8-19-22-23/h1-6,8,10-11,24H,7,9H2,(H2,18,25)/b21-20+
InChIKeyYKOCJVFEAHNHQR-QZQOTICOSA-N
XLogP2.74
TPSA118.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide?
The IUPAC name of 4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide (CID 139212617) is 4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide.
What is the SMILES notation for 4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide?
The canonical SMILES for 4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide is NC(=O)c1ccc(/N=N/c2cc(CCn3ccnn3)ccc2O)cc1.
What is the InChIKey of 4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide?
The InChIKey is YKOCJVFEAHNHQR-QZQOTICOSA-N. The full InChI is InChI=1S/C17H16N6O2/c18-17(25)13-2-4-14(5-3-13)20-21-15-11-12(1-6-16(15)24)7-9-23-10-8-19-22-23/h1-6,8,10-11,24H,7,9H2,(H2,18,25)/b21-20+.
What are the key properties of 4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide?
4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide has a molecular weight of 336.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide is sourced from PubChem (CID 139212617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).