4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one

C13H18BrN5O — CID 114433444

IUPAC4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(Nc2cnn(CC)c2)c(Br)c1=O
InChIInChI=1S/C13H18BrN5O/c1-3-5-6-19-13(20)12(14)11(8-16-19)17-10-7-15-18(4-2)9-10/h7-9,17H,3-6H2,1-2H3
InChIKeyJQASWRDUXSEJRM-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.77
Rot. Bonds6

About 4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one

4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one (PubChem CID 114433444) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one
PubChem CID114433444
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(Nc2cnn(CC)c2)c(Br)c1=O
InChIInChI=1S/C13H18BrN5O/c1-3-5-6-19-13(20)12(14)11(8-16-19)17-10-7-15-18(4-2)9-10/h7-9,17H,3-6H2,1-2H3
InChIKeyJQASWRDUXSEJRM-UHFFFAOYSA-N
XLogP2.77
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-[(1-ethylpyrazol-4-yl)amino]-2-prop-2-ynylpyridazin-3-one
CID 114433432
4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one
CID 114433442
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
4-bromo-2-(2-methoxyethyl)-5-[(1-methylpyrazol-4-yl)amino]pyridazin-3-one
CID 114433463
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one
CID 114433450
4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443259
4,5-dibromo-2-butylpyridazin-3-one
CID 10828722
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
CID 114433642
4-bromo-2-butyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437624
4-bromo-5-[(1-methylpyrazol-4-yl)amino]-2-prop-2-ynylpyridazin-3-one
CID 114433458
4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
CID 114433336
5-[(1-amino-3-methylbutan-2-yl)amino]-4-bromo-2-butylpyridazin-3-one
CID 114445725

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one (CID 114433444) is 4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one is CCCCn1ncc(Nc2cnn(CC)c2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one?
The InChIKey is JQASWRDUXSEJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-3-5-6-19-13(20)12(14)11(8-16-19)17-10-7-15-18(4-2)9-10/h7-9,17H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one?
4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one has a molecular weight of 340.23 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114433444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).