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

C12H16BrN5O — CID 114440101

IUPAC4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one
SMILESCC(C)Cn1ncc(Nc2ccn(C)n2)c(Br)c1=O
InChIInChI=1S/C12H16BrN5O/c1-8(2)7-18-12(19)11(13)9(6-14-18)15-10-4-5-17(3)16-10/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyVVMHALIMTALFIW-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.14
Rot. Bonds4

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

4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one (PubChem CID 114440101) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one
PubChem CID114440101
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one
SMILESCC(C)Cn1ncc(Nc2ccn(C)n2)c(Br)c1=O
InChIInChI=1S/C12H16BrN5O/c1-8(2)7-18-12(19)11(13)9(6-14-18)15-10-4-5-17(3)16-10/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyVVMHALIMTALFIW-UHFFFAOYSA-N
XLogP2.14
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-(2-imidazol-1-ylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114435124
4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one
CID 114440121
4-bromo-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114435658
4-bromo-5-[(4-hydroxyphenyl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114443482
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114446681
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-methylacetamide
CID 114432996
4-bromo-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136743
4-bromo-5-(2-ethoxyethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114433703
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433014
4-[[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106382117
4-bromo-5-[1-(5-chlorothiophen-2-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114435450
4-bromo-5-[(2-fluorophenyl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114432502

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one (CID 114440101) is 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one is CC(C)Cn1ncc(Nc2ccn(C)n2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one?
The InChIKey is VVMHALIMTALFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-8(2)7-18-12(19)11(13)9(6-14-18)15-10-4-5-17(3)16-10/h4-6,8H,7H2,1-3H3,(H,15,16).
What are the key properties of 4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one?
4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one has a molecular weight of 326.20 g/mol, XLogP of 2.14, 4 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-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114440101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).