5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one

C16H28N4O — CID 114397711

IUPAC5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
SMILESCC(C)CNCCn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C16H28N4O/c1-13(2)11-17-6-9-20-16(21)10-15(12-18-20)19-7-4-14(3)5-8-19/h10,12-14,17H,4-9,11H2,1-3H3
InChIKeyWZYLLJYYZFWAMH-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.73
Rot. Bonds6

About 5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one

5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one (PubChem CID 114397711) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
PubChem CID114397711
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
SMILESCC(C)CNCCn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C16H28N4O/c1-13(2)11-17-6-9-20-16(21)10-15(12-18-20)19-7-4-14(3)5-8-19/h10,12-14,17H,4-9,11H2,1-3H3
InChIKeyWZYLLJYYZFWAMH-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 107506454
2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 114396617
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
2-methyl-3-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanethioamide
CID 114395835
3-hydroxy-4-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]butanoic acid
CID 114394075
2-amino-3-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394073
2-[[1-(bromomethyl)cyclobutyl]methyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 114394395
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
5-(4-methylpiperidin-1-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399120
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506
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 5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one (CID 114397711) is 5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one is CC(C)CNCCn1ncc(N2CCC(C)CC2)cc1=O.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one?
The InChIKey is WZYLLJYYZFWAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)11-17-6-9-20-16(21)10-15(12-18-20)19-7-4-14(3)5-8-19/h10,12-14,17H,4-9,11H2,1-3H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one?
5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one has a molecular weight of 292.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114397711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).