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

C13H14FN3O — CID 82105361

IUPAC6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(F)c(N)c2)ccc1=O
InChIInChI=1S/C13H14FN3O/c1-2-7-17-13(18)6-5-12(16-17)9-3-4-10(14)11(15)8-9/h3-6,8H,2,7,15H2,1H3
InChIKeyBRAKDFVIFPBCRD-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.04
Rot. Bonds3

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

6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one (PubChem CID 82105361) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one
PubChem CID82105361
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(F)c(N)c2)ccc1=O
InChIInChI=1S/C13H14FN3O/c1-2-7-17-13(18)6-5-12(16-17)9-3-4-10(14)11(15)8-9/h3-6,8H,2,7,15H2,1H3
InChIKeyBRAKDFVIFPBCRD-UHFFFAOYSA-N
XLogP2.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.04
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-propylpyridazin-3-one?
The IUPAC name of 6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one (CID 82105361) is 6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one is CCCn1nc(-c2ccc(F)c(N)c2)ccc1=O.
What is the InChIKey of 6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one?
The InChIKey is BRAKDFVIFPBCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-7-17-13(18)6-5-12(16-17)9-3-4-10(14)11(15)8-9/h3-6,8H,2,7,15H2,1H3.
What are the key properties of 6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one?
6-(3-amino-4-fluorophenyl)-2-propylpyridazin-3-one has a molecular weight of 247.27 g/mol, XLogP of 2.04, 3 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-propylpyridazin-3-one is sourced from PubChem (CID 82105361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).