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

C11H18BrN3O — CID 114436919

IUPAC4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
SMILESCCCCC(C)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C11H18BrN3O/c1-4-5-6-8(2)14-9-7-13-15(3)11(16)10(9)12/h7-8,14H,4-6H2,1-3H3
InChIKeyFQAYGLLRDUKOHE-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.53
Rot. Bonds5

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

4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one (PubChem CID 114436919) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
PubChem CID114436919
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
SMILESCCCCC(C)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C11H18BrN3O/c1-4-5-6-8(2)14-9-7-13-15(3)11(16)10(9)12/h7-8,14H,4-6H2,1-3H3
InChIKeyFQAYGLLRDUKOHE-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
4-bromo-2-methyl-5-(pent-4-yn-2-ylamino)pyridazin-3-one
CID 115658848
4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one
CID 114436921
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
4-bromo-2-methyl-5-[[(2S)-1-(2-methylpropoxy)propan-2-yl]amino]pyridazin-3-one
CID 95624933
4-bromo-5-(heptan-2-ylamino)-2-prop-2-enylpyridazin-3-one
CID 114435365
4-bromo-5-(4-methylsulfinylbutan-2-ylamino)-2-propylpyridazin-3-one
CID 114442791
4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one
CID 115644216
N-heptan-2-yl-1,5-dimethylpyrazol-4-amine
CID 115923292
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969
4-bromo-5-(pentan-2-ylamino)-2-prop-2-ynylpyridazin-3-one
CID 114431978
4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one
CID 56789091

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one (CID 114436919) is 4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one is CCCCC(C)Nc1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one?
The InChIKey is FQAYGLLRDUKOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-4-5-6-8(2)14-9-7-13-15(3)11(16)10(9)12/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one?
4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one has a molecular weight of 288.19 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 114436919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).