2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol

C10H12N4O2 — CID 139692715

IUPAC2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol
SMILESNc1ccc(-c2nc(OCCO)n[nH]2)cc1
InChIInChI=1S/C10H12N4O2/c11-8-3-1-7(2-4-8)9-12-10(14-13-9)16-6-5-15/h1-4,15H,5-6,11H2,(H,12,13,14)
InChIKeyHHEULPXFPSWZSB-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.43
Rot. Bonds4

About 2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol

2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol (PubChem CID 139692715) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol
PubChem CID139692715
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol
SMILESNc1ccc(-c2nc(OCCO)n[nH]2)cc1
InChIInChI=1S/C10H12N4O2/c11-8-3-1-7(2-4-8)9-12-10(14-13-9)16-6-5-15/h1-4,15H,5-6,11H2,(H,12,13,14)
InChIKeyHHEULPXFPSWZSB-UHFFFAOYSA-N
XLogP0.43
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol?
The IUPAC name of 2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol (CID 139692715) is 2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol.
What is the SMILES notation for 2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol?
The canonical SMILES for 2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol is Nc1ccc(-c2nc(OCCO)n[nH]2)cc1.
What is the InChIKey of 2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol?
The InChIKey is HHEULPXFPSWZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-8-3-1-7(2-4-8)9-12-10(14-13-9)16-6-5-15/h1-4,15H,5-6,11H2,(H,12,13,14).
What are the key properties of 2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol?
2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol has a molecular weight of 220.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol is sourced from PubChem (CID 139692715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).