5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one

C12H21N3O — CID 106549124

IUPAC5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
SMILESCc1cnn(CCNC(C)C(C)C)c(=O)c1
InChIInChI=1S/C12H21N3O/c1-9(2)11(4)13-5-6-15-12(16)7-10(3)8-14-15/h7-9,11,13H,5-6H2,1-4H3
InChIKeyUPMVGBIAJBZNHP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.19
Rot. Bonds5

About 5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one

5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one (PubChem CID 106549124) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
PubChem CID106549124
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
SMILESCc1cnn(CCNC(C)C(C)C)c(=O)c1
InChIInChI=1S/C12H21N3O/c1-9(2)11(4)13-5-6-15-12(16)7-10(3)8-14-15/h7-9,11,13H,5-6H2,1-4H3
InChIKeyUPMVGBIAJBZNHP-UHFFFAOYSA-N
XLogP1.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxybutyl)-5-methylpyridazin-3-one
CID 106548855
2-(5-chloro-3-methylpentyl)-5-methylpyridazin-3-one
CID 106548483
6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
CID 62922504
2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one
CID 106549117
2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-(2-aminooxyethyl)-5-methylpyridazin-3-one
CID 131207528
2-(4-aminobutyl)-5-methylpyridazin-3-one
CID 106548370
3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548665
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548689
2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
CID 106548563
5-methyl-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 106548521
5-methyl-2-[3-methyl-2-(methylamino)pentyl]pyridazin-3-one
CID 106548526

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one (CID 106549124) is 5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one is Cc1cnn(CCNC(C)C(C)C)c(=O)c1.
What is the InChIKey of 5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
The InChIKey is UPMVGBIAJBZNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)11(4)13-5-6-15-12(16)7-10(3)8-14-15/h7-9,11,13H,5-6H2,1-4H3.
What are the key properties of 5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 106549124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).