1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one

C14H17FN2O2 — CID 163821377

IUPAC1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one
SMILESO=C1CC(O)N(Cc2cccc(F)c2)N2CCCC12
InChIInChI=1S/C14H17FN2O2/c15-11-4-1-3-10(7-11)9-17-14(19)8-13(18)12-5-2-6-16(12)17/h1,3-4,7,12,14,19H,2,5-6,8-9H2
InChIKeyNVRUOLOVCHLYCR-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.30
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one

1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one (PubChem CID 163821377) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one
PubChem CID163821377
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one
SMILESO=C1CC(O)N(Cc2cccc(F)c2)N2CCCC12
InChIInChI=1S/C14H17FN2O2/c15-11-4-1-3-10(7-11)9-17-14(19)8-13(18)12-5-2-6-16(12)17/h1,3-4,7,12,14,19H,2,5-6,8-9H2
InChIKeyNVRUOLOVCHLYCR-UHFFFAOYSA-N
XLogP1.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-Ethyl-1-[(3-fluorophenyl)methyl]-6-hydroxy-2-propyldiazinan-4-one
CID 163539807

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one (CID 163821377) is 1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one is O=C1CC(O)N(Cc2cccc(F)c2)N2CCCC12.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one?
The InChIKey is NVRUOLOVCHLYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-11-4-1-3-10(7-11)9-17-14(19)8-13(18)12-5-2-6-16(12)17/h1,3-4,7,12,14,19H,2,5-6,8-9H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one?
1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one has a molecular weight of 264.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2-hydroxy-2,3,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-4-one is sourced from PubChem (CID 163821377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).