4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one

C13H20BrN3O — CID 114433336

IUPAC4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
SMILESCCCCn1ncc(NC(C)C2CC2)c(Br)c1=O
InChIInChI=1S/C13H20BrN3O/c1-3-4-7-17-13(18)12(14)11(8-15-17)16-9(2)10-5-6-10/h8-10,16H,3-7H2,1-2H3
InChIKeyBVQQBFIOOUWYSW-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.02
Rot. Bonds6

About 4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one

4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one (PubChem CID 114433336) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
PubChem CID114433336
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
SMILESCCCCn1ncc(NC(C)C2CC2)c(Br)c1=O
InChIInChI=1S/C13H20BrN3O/c1-3-4-7-17-13(18)12(14)11(8-15-17)16-9(2)10-5-6-10/h8-10,16H,3-7H2,1-2H3
InChIKeyBVQQBFIOOUWYSW-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
CID 114438460
4-bromo-2-butyl-5-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438353
methyl 2-[5-bromo-4-(1-cyclopropylethylamino)-6-oxopyridazin-1-yl]acetate
CID 114433328
5-[(1-amino-3-methylbutan-2-yl)amino]-4-bromo-2-butylpyridazin-3-one
CID 114445725
4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one
CID 114435700
4-bromo-2-butyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440486
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400
4-bromo-2-butyl-5-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 106282933
4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436813
4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one
CID 114436921
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one (CID 114433336) is 4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one is CCCCn1ncc(NC(C)C2CC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one?
The InChIKey is BVQQBFIOOUWYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-4-7-17-13(18)12(14)11(8-15-17)16-9(2)10-5-6-10/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one?
4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one has a molecular weight of 314.23 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one is sourced from PubChem (CID 114433336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).