2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one

C15H26N4O2 — CID 107506454

IUPAC2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCNC(COC)Cn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C15H26N4O2/c1-12-4-6-18(7-5-12)14-8-15(20)19(17-9-14)10-13(16-2)11-21-3/h8-9,12-13,16H,4-7,10-11H2,1-3H3
InChIKeyVDUKFTLBEKMYTK-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.71
Rot. Bonds6

About 2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one

2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 107506454) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID107506454
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCNC(COC)Cn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C15H26N4O2/c1-12-4-6-18(7-5-12)14-8-15(20)19(17-9-14)10-13(16-2)11-21-3/h8-9,12-13,16H,4-7,10-11H2,1-3H3
InChIKeyVDUKFTLBEKMYTK-UHFFFAOYSA-N
XLogP0.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397711
2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 107506432
2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 114396617
2-amino-3-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394073
3-hydroxy-4-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]butanoic acid
CID 114394075
2-methyl-3-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanethioamide
CID 114395835
2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394736
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
2-[[1-(bromomethyl)cyclobutyl]methyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 114394395
5-(4-methylpiperidin-1-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399120
2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397548
2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
CID 114396762

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one (CID 107506454) is 2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one is CNC(COC)Cn1ncc(N2CCC(C)CC2)cc1=O.
What is the InChIKey of 2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is VDUKFTLBEKMYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12-4-6-18(7-5-12)14-8-15(20)19(17-9-14)10-13(16-2)11-21-3/h8-9,12-13,16H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 294.40 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 107506454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).