5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one

C10H17N3O — CID 103218501

IUPAC5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one
SMILESCCC(C)Cn1ncc(NC)cc1=O
InChIInChI=1S/C10H17N3O/c1-4-8(2)7-13-10(14)5-9(11-3)6-12-13/h5-6,8,11H,4,7H2,1-3H3
InChIKeyIZEBGBPEEOYHSJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.33
Rot. Bonds4

About 5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one

5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one (PubChem CID 103218501) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one
PubChem CID103218501
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one
SMILESCCC(C)Cn1ncc(NC)cc1=O
InChIInChI=1S/C10H17N3O/c1-4-8(2)7-13-10(14)5-9(11-3)6-12-13/h5-6,8,11H,4,7H2,1-3H3
InChIKeyIZEBGBPEEOYHSJ-UHFFFAOYSA-N
XLogP1.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3(2H)-one
CID 72876309
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 103366657
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one
CID 103366658
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103366659
2-[(3,3-Difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one
CID 114226081
4-(4-methylpentylamino)-1H-pyridazin-6-one
CID 114392023
4-Methanimidoyl-5-(methylamino)-2-prop-2-enylpyridazin-3-one
CID 156187890
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
2-Methyl-5-(methylamino)pyridazin-3(2H)-one
CID 10510928

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one (CID 103218501) is 5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one is CCC(C)Cn1ncc(NC)cc1=O.
What is the InChIKey of 5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one?
The InChIKey is IZEBGBPEEOYHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-8(2)7-13-10(14)5-9(11-3)6-12-13/h5-6,8,11H,4,7H2,1-3H3.
What are the key properties of 5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one?
5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(2-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 103218501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).