2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one

C15H26N4O — CID 114396791

IUPAC2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCC(CNC(C)C)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H26N4O/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18-6-4-5-7-18/h8,10,12-13,16H,4-7,9,11H2,1-3H3
InChIKeyIYLUQDBILBRMDU-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.48
Rot. Bonds6

About 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114396791) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114396791
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCC(CNC(C)C)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H26N4O/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18-6-4-5-7-18/h8,10,12-13,16H,4-7,9,11H2,1-3H3
InChIKeyIYLUQDBILBRMDU-UHFFFAOYSA-N
XLogP1.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114396804
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394713
5-(4-methylpiperazin-1-yl)-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114398963
2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396453
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-(2-methyl-3-sulfanylpropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114398865
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-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397054
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 114396791) is 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one is CC(CNC(C)C)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is IYLUQDBILBRMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18-6-4-5-7-18/h8,10,12-13,16H,4-7,9,11H2,1-3H3.
What are the key properties of 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 278.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114396791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).