2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol

C11H12N4O — CID 139076396

IUPAC2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol
SMILESOCC/N=C/c1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H12N4O/c16-7-6-12-8-10-9-13-15(14-10)11-4-2-1-3-5-11/h1-5,8-9,16H,6-7H2/b12-8+
InChIKeyQNXIVNVPXKCFAJ-XYOKQWHBSA-N
MW216.24 g/mol
LogP0.68
Rot. Bonds4

About 2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol

2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol (PubChem CID 139076396) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol.

Molecular Properties

Compound Name2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol
PubChem CID139076396
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol
SMILESOCC/N=C/c1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H12N4O/c16-7-6-12-8-10-9-13-15(14-10)11-4-2-1-3-5-11/h1-5,8-9,16H,6-7H2/b12-8+
InChIKeyQNXIVNVPXKCFAJ-XYOKQWHBSA-N
XLogP0.68
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol?
The IUPAC name of 2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol (CID 139076396) is 2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol.
What is the SMILES notation for 2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol?
The canonical SMILES for 2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol is OCC/N=C/c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol?
The InChIKey is QNXIVNVPXKCFAJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H12N4O/c16-7-6-12-8-10-9-13-15(14-10)11-4-2-1-3-5-11/h1-5,8-9,16H,6-7H2/b12-8+.
What are the key properties of 2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol?
2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol has a molecular weight of 216.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyltriazol-4-yl)methylideneamino]ethanol is sourced from PubChem (CID 139076396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).