2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C15H16FN3O2 — CID 63253718

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCOc1ccc(Cn2nc3c(cc2=O)CNCC3)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-14-3-2-10(6-12(14)16)9-19-15(20)7-11-8-17-5-4-13(11)18-19/h2-3,6-7,17H,4-5,8-9H2,1H3
InChIKeyFHDBJYRTFIIWAA-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.09
Rot. Bonds3

About 2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 63253718) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID63253718
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCOc1ccc(Cn2nc3c(cc2=O)CNCC3)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-14-3-2-10(6-12(14)16)9-19-15(20)7-11-8-17-5-4-13(11)18-19/h2-3,6-7,17H,4-5,8-9H2,1H3
InChIKeyFHDBJYRTFIIWAA-UHFFFAOYSA-N
XLogP1.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-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

2-[(3-bromo-4-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253381
2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253672
2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 121199744
2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one
CID 101125632
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 18098618
5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one
CID 103219917
2-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 91811911
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517
2-(2-phenoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63254027
1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,4-diazepan-2-one
CID 82304426
5-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916050
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 63253718) is 2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is COc1ccc(Cn2nc3c(cc2=O)CNCC3)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is FHDBJYRTFIIWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-14-3-2-10(6-12(14)16)9-19-15(20)7-11-8-17-5-4-13(11)18-19/h2-3,6-7,17H,4-5,8-9H2,1H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 289.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 63253718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).