4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one

C9H14BrN3O — CID 115623899

IUPAC4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
SMILESCCC(C)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-4-6(2)12-7-5-11-13(3)9(14)8(7)10/h5-6,12H,4H2,1-3H3
InChIKeyNQDQRLBQAFFCFR-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.75
Rot. Bonds3

About 4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one

4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one (PubChem CID 115623899) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
PubChem CID115623899
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
SMILESCCC(C)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-4-6(2)12-7-5-11-13(3)9(14)8(7)10/h5-6,12H,4H2,1-3H3
InChIKeyNQDQRLBQAFFCFR-UHFFFAOYSA-N
XLogP1.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
CID 114436919
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
4-bromo-2-methyl-5-(pent-4-yn-2-ylamino)pyridazin-3-one
CID 115658848
4-bromo-2-methyl-5-[[(2S)-1-(2-methylpropoxy)propan-2-yl]amino]pyridazin-3-one
CID 95624933
4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one
CID 56789091
4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one
CID 115644216
4-bromo-5-(butan-2-ylamino)-2-prop-2-enylpyridazin-3-one
CID 114431484
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969
2-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanoic acid
CID 169493711
4-bromo-2-methyl-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 115764304
4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one
CID 113239418
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 115681189

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one (CID 115623899) is 4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one is CCC(C)Nc1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one?
The InChIKey is NQDQRLBQAFFCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-4-6(2)12-7-5-11-13(3)9(14)8(7)10/h5-6,12H,4H2,1-3H3.
What are the key properties of 4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one?
4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one has a molecular weight of 260.13 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 115623899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).