5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one

C12H21N3O — CID 103219028

IUPAC5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one
SMILESCCNc1cnn(CC(CC)CC)c(=O)c1
InChIInChI=1S/C12H21N3O/c1-4-10(5-2)9-15-12(16)7-11(8-14-15)13-6-3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyLHQCSVFDTDXNEY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.11
Rot. Bonds6

About 5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one

5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one (PubChem CID 103219028) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one
PubChem CID103219028
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one
SMILESCCNc1cnn(CC(CC)CC)c(=O)c1
InChIInChI=1S/C12H21N3O/c1-4-10(5-2)9-15-12(16)7-11(8-14-15)13-6-3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyLHQCSVFDTDXNEY-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202143
N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202150
N-(2-Methylpropyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202197
N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202213
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
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
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

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one?
The IUPAC name of 5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one (CID 103219028) is 5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one?
The canonical SMILES for 5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one is CCNc1cnn(CC(CC)CC)c(=O)c1.
What is the InChIKey of 5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one?
The InChIKey is LHQCSVFDTDXNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10(5-2)9-15-12(16)7-11(8-14-15)13-6-3/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of 5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one?
5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-(2-ethylbutyl)pyridazin-3-one is sourced from PubChem (CID 103219028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).