2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one

C16H26N4O — CID 103073102

IUPAC2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESC=C(CNCC)Cn1ncc(N2CCCC(C)C2)cc1=O
InChIInChI=1S/C16H26N4O/c1-4-17-9-14(3)12-20-16(21)8-15(10-18-20)19-7-5-6-13(2)11-19/h8,10,13,17H,3-7,9,11-12H2,1-2H3
InChIKeyIXIKCKHTYRSGCP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.65
Rot. Bonds6

About 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one

2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 103073102) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID103073102
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESC=C(CNCC)Cn1ncc(N2CCCC(C)C2)cc1=O
InChIInChI=1S/C16H26N4O/c1-4-17-9-14(3)12-20-16(21)8-15(10-18-20)19-7-5-6-13(2)11-19/h8,10,13,17H,3-7,9,11-12H2,1-2H3
InChIKeyIXIKCKHTYRSGCP-UHFFFAOYSA-N
XLogP1.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
N-cyclopropyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202100
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 53202135
N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202143

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one (CID 103073102) is 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one is C=C(CNCC)Cn1ncc(N2CCCC(C)C2)cc1=O.
What is the InChIKey of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is IXIKCKHTYRSGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-17-9-14(3)12-20-16(21)8-15(10-18-20)19-7-5-6-13(2)11-19/h8,10,13,17H,3-7,9,11-12H2,1-2H3.
What are the key properties of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 290.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 103073102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).