2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one

C14H22N4O — CID 103073087

IUPAC2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C14H22N4O/c1-11-3-5-17(6-4-11)13-7-14(19)18(16-9-13)10-12(2)8-15/h7,9,11H,2-6,8,10,15H2,1H3
InChIKeyLYFCWFQKYYCTSO-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.99
Rot. Bonds4

About 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one

2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 103073087) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID103073087
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C14H22N4O/c1-11-3-5-17(6-4-11)13-7-14(19)18(16-9-13)10-12(2)8-15/h7,9,11H,2-6,8,10,15H2,1H3
InChIKeyLYFCWFQKYYCTSO-UHFFFAOYSA-N
XLogP0.99
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.99
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
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-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
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
N-butyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202111
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 53202135
N,N-dimethyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202142

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one (CID 103073087) is 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one is C=C(CN)Cn1ncc(N2CCC(C)CC2)cc1=O.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is LYFCWFQKYYCTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-3-5-17(6-4-11)13-7-14(19)18(16-9-13)10-12(2)8-15/h7,9,11H,2-6,8,10,15H2,1H3.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 262.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 103073087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).