6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile

C14H12FN3O — CID 82446730

IUPAC6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
SMILESCCCn1nc(-c2ccc(F)cc2)cc(C#N)c1=O
InChIInChI=1S/C14H12FN3O/c1-2-7-18-14(19)11(9-16)8-13(17-18)10-3-5-12(15)6-4-10/h3-6,8H,2,7H2,1H3
InChIKeyRSPPZRSCYGWOCW-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.33
Rot. Bonds3

About 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile

6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile (PubChem CID 82446730) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
PubChem CID82446730
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
SMILESCCCn1nc(-c2ccc(F)cc2)cc(C#N)c1=O
InChIInChI=1S/C14H12FN3O/c1-2-7-18-14(19)11(9-16)8-13(17-18)10-3-5-12(15)6-4-10/h3-6,8H,2,7H2,1H3
InChIKeyRSPPZRSCYGWOCW-UHFFFAOYSA-N
XLogP2.33
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile (CID 82446730) is 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile is CCCn1nc(-c2ccc(F)cc2)cc(C#N)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile?
The InChIKey is RSPPZRSCYGWOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-2-7-18-14(19)11(9-16)8-13(17-18)10-3-5-12(15)6-4-10/h3-6,8H,2,7H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile?
6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile has a molecular weight of 257.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile is sourced from PubChem (CID 82446730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).