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

C15H18FN3O2 — CID 103219476

IUPAC2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCOc1ccc(Cn2ncc(NC(C)C)cc2=O)c(F)c1
InChIInChI=1S/C15H18FN3O2/c1-10(2)18-12-6-15(20)19(17-8-12)9-11-4-5-13(21-3)7-14(11)16/h4-8,10,18H,9H2,1-3H3
InChIKeyLLIBIMHWCROPFH-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.26
Rot. Bonds5

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

2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219476) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219476
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCOc1ccc(Cn2ncc(NC(C)C)cc2=O)c(F)c1
InChIInChI=1S/C15H18FN3O2/c1-10(2)18-12-6-15(20)19(17-8-12)9-11-4-5-13(21-3)7-14(11)16/h4-8,10,18H,9H2,1-3H3
InChIKeyLLIBIMHWCROPFH-UHFFFAOYSA-N
XLogP2.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223623
5-(2-aminoethylamino)-2-[(4-chloro-2-fluorophenyl)methyl]pyridazin-3-one
CID 103221049
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-pentyl-5-(propan-2-ylamino)pyridazin-3-one
CID 103219492
2-(3-methylsulfanylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219466
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole
CID 102878282
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-2-carbothioamide
CID 102876775
2-[4-(2-bromo-4-methoxyanilino)-6-oxopyridazin-1-yl]acetaldehyde
CID 131992058
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719299
2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218695
dimethyl 2-[(2-fluoro-4-methoxyphenyl)methyl]propanedioate
CID 102880094

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one (CID 103219476) is 2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one is COc1ccc(Cn2ncc(NC(C)C)cc2=O)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is LLIBIMHWCROPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10(2)18-12-6-15(20)19(17-8-12)9-11-4-5-13(21-3)7-14(11)16/h4-8,10,18H,9H2,1-3H3.
What are the key properties of 2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 291.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).