4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one

C12H18BrN3O — CID 103741790

IUPAC4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one
SMILESCCC1(CNc2cnn(C)c(=O)c2Br)CCC1
InChIInChI=1S/C12H18BrN3O/c1-3-12(5-4-6-12)8-14-9-7-15-16(2)11(17)10(9)13/h7,14H,3-6,8H2,1-2H3
InChIKeyNRBGJFFMMGDORE-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.54
Rot. Bonds4

About 4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one

4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one (PubChem CID 103741790) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one
PubChem CID103741790
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one
SMILESCCC1(CNc2cnn(C)c(=O)c2Br)CCC1
InChIInChI=1S/C12H18BrN3O/c1-3-12(5-4-6-12)8-14-9-7-15-16(2)11(17)10(9)13/h7,14H,3-6,8H2,1-2H3
InChIKeyNRBGJFFMMGDORE-UHFFFAOYSA-N
XLogP2.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylpyridazin-3-one
CID 115682958
4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
CID 103736991
4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133344242
4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one
CID 107268999
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
4-bromo-5-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpyridazin-3-one
CID 104705523
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
4-bromo-5-[(5-ethylthiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235061
4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one
CID 106329404
4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one
CID 115624079
4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
CID 113235058
4-bromo-5-[(2-hydroxy-2-methylpentyl)amino]-2-methylpyridazin-3-one
CID 113235103

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one (CID 103741790) is 4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one is CCC1(CNc2cnn(C)c(=O)c2Br)CCC1.
What is the InChIKey of 4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is NRBGJFFMMGDORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-3-12(5-4-6-12)8-14-9-7-15-16(2)11(17)10(9)13/h7,14H,3-6,8H2,1-2H3.
What are the key properties of 4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one?
4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 300.20 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 103741790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).