2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone

C11H10N4O2 — CID 23734168

IUPAC2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone
SMILESCc1ccc(C(=NO)C(=O)n2cncn2)cc1
InChIInChI=1S/C11H10N4O2/c1-8-2-4-9(5-3-8)10(14-17)11(16)15-7-12-6-13-15/h2-7,17H,1H3
InChIKeyDOCFRTCCYKXHOY-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.11
Rot. Bonds2

About 2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone

2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone (PubChem CID 23734168) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone
PubChem CID23734168
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone
SMILESCc1ccc(C(=NO)C(=O)n2cncn2)cc1
InChIInChI=1S/C11H10N4O2/c1-8-2-4-9(5-3-8)10(14-17)11(16)15-7-12-6-13-15/h2-7,17H,1H3
InChIKeyDOCFRTCCYKXHOY-UHFFFAOYSA-N
XLogP1.11
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone (CID 23734168) is 2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone is Cc1ccc(C(=NO)C(=O)n2cncn2)cc1.
What is the InChIKey of 2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is DOCFRTCCYKXHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-8-2-4-9(5-3-8)10(14-17)11(16)15-7-12-6-13-15/h2-7,17H,1H3.
What are the key properties of 2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone?
2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 230.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 23734168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).