4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one

C13H18BrN5O — CID 114435149

IUPAC4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCC(C)Cn1ncc(NCc2cnn(C)c2)c(Br)c1=O
InChIInChI=1S/C13H18BrN5O/c1-9(2)7-19-13(20)12(14)11(6-17-19)15-4-10-5-16-18(3)8-10/h5-6,8-9,15H,4,7H2,1-3H3
InChIKeyXQVRIZHQVQLWLP-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.01
Rot. Bonds5

About 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one

4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (PubChem CID 114435149) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
PubChem CID114435149
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCC(C)Cn1ncc(NCc2cnn(C)c2)c(Br)c1=O
InChIInChI=1S/C13H18BrN5O/c1-9(2)7-19-13(20)12(14)11(6-17-19)15-4-10-5-16-18(3)8-10/h5-6,8-9,15H,4,7H2,1-3H3
InChIKeyXQVRIZHQVQLWLP-UHFFFAOYSA-N
XLogP2.01
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-[(1-methylpyrazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114435162
4-bromo-2-(2-hydroxyethyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 114435163
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
4-bromo-5-[(4-hydroxyphenyl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114443482
methyl 2-[5-bromo-4-[(1-methylpyrazol-4-yl)methylamino]-6-oxopyridazin-1-yl]acetate
CID 114435159
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114446681
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
4-[[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106382117
4-bromo-5-[(2-fluorophenyl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114432502
4-bromo-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106402634
4-bromo-2-(2-methylpropyl)-5-(2-piperazin-1-ylethylamino)pyridazin-3-one
CID 114444002
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-methylacetamide
CID 114432996

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (CID 114435149) is 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is CC(C)Cn1ncc(NCc2cnn(C)c2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The InChIKey is XQVRIZHQVQLWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-9(2)7-19-13(20)12(14)11(6-17-19)15-4-10-5-16-18(3)8-10/h5-6,8-9,15H,4,7H2,1-3H3.
What are the key properties of 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one has a molecular weight of 340.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114435149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).