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

C16H28N4O — CID 114396804

IUPAC2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCC(CNC(C)C)Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C16H28N4O/c1-13(2)17-10-14(3)12-20-16(21)9-15(11-18-20)19-7-5-4-6-8-19/h9,11,13-14,17H,4-8,10,12H2,1-3H3
InChIKeySKPBKNLGYFDUSC-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.87
Rot. Bonds6

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

2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114396804) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID114396804
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCC(CNC(C)C)Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C16H28N4O/c1-13(2)17-10-14(3)12-20-16(21)9-15(11-18-20)19-7-5-4-6-8-19/h9,11,13-14,17H,4-8,10,12H2,1-3H3
InChIKeySKPBKNLGYFDUSC-UHFFFAOYSA-N
XLogP1.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396791
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
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
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-(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-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
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-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one (CID 114396804) is 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one is CC(CNC(C)C)Cn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is SKPBKNLGYFDUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)17-10-14(3)12-20-16(21)9-15(11-18-20)19-7-5-4-6-8-19/h9,11,13-14,17H,4-8,10,12H2,1-3H3.
What are the key properties of 2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one?
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 292.43 g/mol, XLogP of 1.87, 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-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114396804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).