5-acetyl-2-ethylnitro6-phenylpyridazin-3(2H)-one

HCID 10732015

Substructure search Find similar structures

Basic information

Standard SMILES: CCn1nc(-c2ccccc2)c(C(C)=O)c([N+](=O)[O-])c1=O
InChIKey: BWVQSFMROMRENR-UHFFFAOYSA-N
Molecular formula: C14H13N3O4
Average molar mass: 287.27 g/mol

Names & identifiers

Preferred name: 5-acetyl-2-ethylnitro6-phenylpyridazin-3(2H)-one
IUPAC: 5-acetyl-2-ethyl-4-nitro-6-phenylpyridazin-3-one

Names & synonyms

SCHEMBL3033412BWVQSFMROMRENR-UHFFFAOYSA-NDB-1135805-acetyl-2-ethylnitro6-phenylpyridazin-3(2H)-one5-acetyl-2-ethylnitro-6-phenylpyridazin-3(2H)-one5-acetyl-2-ethyl nitro-6-phenylpyridazin-3(2H)-one5-acetyl-2-ethyl-4-nitro-6-phenylpyridazin-3(2H)-one189306-94-3

Database identifiers

PubChem CID: 10732015

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 95.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 539

Related reactions

56 records

New reaction record

HRID 152522As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161852As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 185460As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 186643As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 187633As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 202756As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 205420As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 207257As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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