6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one

C12H12FN3O — CID 82105360

IUPAC6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2ccc(F)c(N)c2)ccc1=O
InChIInChI=1S/C12H12FN3O/c1-2-16-12(17)6-5-11(15-16)8-3-4-9(13)10(14)7-8/h3-7H,2,14H2,1H3
InChIKeyUNTSCPZPRXUEIW-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.65
Rot. Bonds2

About 6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one

6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one (PubChem CID 82105360) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one
PubChem CID82105360
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2ccc(F)c(N)c2)ccc1=O
InChIInChI=1S/C12H12FN3O/c1-2-16-12(17)6-5-11(15-16)8-3-4-9(13)10(14)7-8/h3-7H,2,14H2,1H3
InChIKeyUNTSCPZPRXUEIW-UHFFFAOYSA-N
XLogP1.65
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.65
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-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one (CID 82105360) is 6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one is CCn1nc(-c2ccc(F)c(N)c2)ccc1=O.
What is the InChIKey of 6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one?
The InChIKey is UNTSCPZPRXUEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-2-16-12(17)6-5-11(15-16)8-3-4-9(13)10(14)7-8/h3-7H,2,14H2,1H3.
What are the key properties of 6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one?
6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one has a molecular weight of 233.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-fluorophenyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 82105360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).