2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one

C15H26N4O2 — CID 107506432

IUPAC2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCCCNC(COC)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H26N4O2/c1-3-6-16-13(12-21-2)11-19-15(20)9-14(10-17-19)18-7-4-5-8-18/h9-10,13,16H,3-8,11-12H2,1-2H3
InChIKeyZUZHDPPLTJVRTP-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.86
Rot. Bonds8

About 2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 107506432) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID107506432
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCCCNC(COC)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H26N4O2/c1-3-6-16-13(12-21-2)11-19-15(20)9-14(10-17-19)18-7-4-5-8-18/h9-10,13,16H,3-8,11-12H2,1-2H3
InChIKeyZUZHDPPLTJVRTP-UHFFFAOYSA-N
XLogP0.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397548
2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 107506454
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396791
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114396804
2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394713
5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one
CID 107506433
5-methyl-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 106548521
1-[3-methoxy-2-(propylamino)propyl]azepane-2,7-dione
CID 107506115
2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394736
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397054

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 107506432) is 2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one is CCCNC(COC)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is ZUZHDPPLTJVRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-6-16-13(12-21-2)11-19-15(20)9-14(10-17-19)18-7-4-5-8-18/h9-10,13,16H,3-8,11-12H2,1-2H3.
What are the key properties of 2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 294.40 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 107506432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).