5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one

C11H19N3O — CID 103218698

IUPAC5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one
SMILESCNc1cnn(CCCC(C)C)c(=O)c1
InChIInChI=1S/C11H19N3O/c1-9(2)5-4-6-14-11(15)7-10(12-3)8-13-14/h7-9,12H,4-6H2,1-3H3
InChIKeyTZRSQARNVCUFFO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.72
Rot. Bonds5

About 5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one

5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one (PubChem CID 103218698) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one
PubChem CID103218698
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one
SMILESCNc1cnn(CCCC(C)C)c(=O)c1
InChIInChI=1S/C11H19N3O/c1-9(2)5-4-6-14-11(15)7-10(12-3)8-13-14/h7-9,12H,4-6H2,1-3H3
InChIKeyTZRSQARNVCUFFO-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202150
3-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 110876543
2-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 110876544
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-methylpropanamide
CID 110876550
5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3(2H)-one
CID 72900645
2-[(3,3-Difluorocyclohexyl)methyl]-5-(methylamino)pyridazin-3-one
CID 114226080
2-[(3,3-Difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one
CID 114226081
4-(4-methylpentylamino)-1H-pyridazin-6-one
CID 114392023
3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
5-[4-(aminomethyl)-1-piperidinyl]-2-pentyl-3(2H)-pyridazinone trifluoroacetate
CID 28311411
1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 53202117
2-[2-(5-Methylhexan-2-ylamino)ethyl]pyridazin-3-one
CID 62848568

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one (CID 103218698) is 5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one is CNc1cnn(CCCC(C)C)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one?
The InChIKey is TZRSQARNVCUFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)5-4-6-14-11(15)7-10(12-3)8-13-14/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one?
5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(4-methylpentyl)pyridazin-3-one is sourced from PubChem (CID 103218698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).