6-(4-aminophenyl)-2-ethylpyridazin-3-one

C12H13N3O — CID 82105433

IUPAC6-(4-aminophenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2ccc(N)cc2)ccc1=O
InChIInChI=1S/C12H13N3O/c1-2-15-12(16)8-7-11(14-15)9-3-5-10(13)6-4-9/h3-8H,2,13H2,1H3
InChIKeyNWDUWWDCFCACMV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.51
Rot. Bonds2

About 6-(4-aminophenyl)-2-ethylpyridazin-3-one

6-(4-aminophenyl)-2-ethylpyridazin-3-one (PubChem CID 82105433) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-(4-aminophenyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-aminophenyl)-2-ethylpyridazin-3-one
PubChem CID82105433
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name6-(4-aminophenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2ccc(N)cc2)ccc1=O
InChIInChI=1S/C12H13N3O/c1-2-15-12(16)8-7-11(14-15)9-3-5-10(13)6-4-9/h3-8H,2,13H2,1H3
InChIKeyNWDUWWDCFCACMV-UHFFFAOYSA-N
XLogP1.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(4-aminophenyl)-2-ethylpyridazin-3-one (CID 82105433) is 6-(4-aminophenyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(4-aminophenyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(4-aminophenyl)-2-ethylpyridazin-3-one is CCn1nc(-c2ccc(N)cc2)ccc1=O.
What is the InChIKey of 6-(4-aminophenyl)-2-ethylpyridazin-3-one?
The InChIKey is NWDUWWDCFCACMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-15-12(16)8-7-11(14-15)9-3-5-10(13)6-4-9/h3-8H,2,13H2,1H3.
What are the key properties of 6-(4-aminophenyl)-2-ethylpyridazin-3-one?
6-(4-aminophenyl)-2-ethylpyridazin-3-one has a molecular weight of 215.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 82105433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).