8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C14H14FN3O — CID 25002578

IUPAC8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]nc(Cc2ccc(F)cc2)c2c1CCCN2
InChIInChI=1S/C14H14FN3O/c15-10-5-3-9(4-6-10)8-12-13-11(2-1-7-16-13)14(19)18-17-12/h3-6,16H,1-2,7-8H2,(H,18,19)
InChIKeyAUYBTOGLGOBKNJ-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.86
Rot. Bonds2

About 8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 25002578) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID25002578
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]nc(Cc2ccc(F)cc2)c2c1CCCN2
InChIInChI=1S/C14H14FN3O/c15-10-5-3-9(4-6-10)8-12-13-11(2-1-7-16-13)14(19)18-17-12/h3-6,16H,1-2,7-8H2,(H,18,19)
InChIKeyAUYBTOGLGOBKNJ-UHFFFAOYSA-N
XLogP1.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 25002578) is 8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is O=c1[nH]nc(Cc2ccc(F)cc2)c2c1CCCN2.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is AUYBTOGLGOBKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-10-5-3-9(4-6-10)8-12-13-11(2-1-7-16-13)14(19)18-17-12/h3-6,16H,1-2,7-8H2,(H,18,19).
What are the key properties of 8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 259.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 25002578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).