(2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone

C10H7ClN4O2 — CID 6401248

IUPAC(2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(/C(=N/O)n1cncn1)c1ccccc1Cl
InChIInChI=1S/C10H7ClN4O2/c11-8-4-2-1-3-7(8)9(16)10(14-17)15-6-12-5-13-15/h1-6,17H/b14-10-
InChIKeyHYBXEZCHRACDIY-UVTDQMKNSA-N
MW250.65 g/mol
LogP1.45
Rot. Bonds2

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

(2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 6401248) has the molecular formula C10H7ClN4O2 and a molecular weight of 250.65 g/mol. Its IUPAC name is (2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name(2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID6401248
Molecular FormulaC10H7ClN4O2
Molecular Weight250.65 g/mol
Exact Mass250.03
IUPAC Name(2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(/C(=N/O)n1cncn1)c1ccccc1Cl
InChIInChI=1S/C10H7ClN4O2/c11-8-4-2-1-3-7(8)9(16)10(14-17)15-6-12-5-13-15/h1-6,17H/b14-10-
InChIKeyHYBXEZCHRACDIY-UVTDQMKNSA-N
XLogP1.45
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of (2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone (CID 6401248) is (2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for (2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for (2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone is O=C(/C(=N/O)n1cncn1)c1ccccc1Cl.
What is the InChIKey of (2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is HYBXEZCHRACDIY-UVTDQMKNSA-N. The full InChI is InChI=1S/C10H7ClN4O2/c11-8-4-2-1-3-7(8)9(16)10(14-17)15-6-12-5-13-15/h1-6,17H/b14-10-.
What are the key properties of (2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone?
(2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 250.65 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(2-chlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 6401248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).