5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one

C15H16FN3O2 — CID 103219917

IUPAC5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2ncc(NC3CC3)cc2=O)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-14-5-2-10(6-13(14)16)9-19-15(20)7-12(8-17-19)18-11-3-4-11/h2,5-8,11,18H,3-4,9H2,1H3
InChIKeyPMRCRWPTJIEYOF-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.01
Rot. Bonds5

About 5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one

5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one (PubChem CID 103219917) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one
PubChem CID103219917
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2ncc(NC3CC3)cc2=O)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-14-5-2-10(6-13(14)16)9-19-15(20)7-12(8-17-19)18-11-3-4-11/h2,5-8,11,18H,3-4,9H2,1H3
InChIKeyPMRCRWPTJIEYOF-UHFFFAOYSA-N
XLogP2.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one
CID 103219913
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667
2-[(3-chlorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220548
5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103219677
2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220665
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one
CID 101125632
2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218654
5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
CID 103219794
2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253718
3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one (CID 103219917) is 5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one is COc1ccc(Cn2ncc(NC3CC3)cc2=O)cc1F.
What is the InChIKey of 5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is PMRCRWPTJIEYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-14-5-2-10(6-13(14)16)9-19-15(20)7-12(8-17-19)18-11-3-4-11/h2,5-8,11,18H,3-4,9H2,1H3.
What are the key properties of 5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 289.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103219917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).