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

C10H12BrN5O — CID 115624125

IUPAC4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCn1cc(CNc2cnn(C)c(=O)c2Br)cn1
InChIInChI=1S/C10H12BrN5O/c1-15-6-7(4-13-15)3-12-8-5-14-16(2)10(17)9(8)11/h4-6,12H,3H2,1-2H3
InChIKeyXDWDFEIKSYZYOW-UHFFFAOYSA-N
MW298.14 g/mol
LogP0.89
Rot. Bonds3

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

4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (PubChem CID 115624125) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
PubChem CID115624125
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCn1cc(CNc2cnn(C)c(=O)c2Br)cn1
InChIInChI=1S/C10H12BrN5O/c1-15-6-7(4-13-15)3-12-8-5-14-16(2)10(17)9(8)11/h4-6,12H,3H2,1-2H3
InChIKeyXDWDFEIKSYZYOW-UHFFFAOYSA-N
XLogP0.89
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 50.89
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-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 114435149
methyl 2-[5-bromo-4-[(1-methylpyrazol-4-yl)methylamino]-6-oxopyridazin-1-yl]acetate
CID 114435159
4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115624220
4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one
CID 103741790
4-bromo-2-methyl-5-[(4-propan-2-yloxyphenyl)methylamino]pyridazin-3-one
CID 133303288
4-bromo-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one
CID 114694720
4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one
CID 133303079
4-bromo-5-[(5-ethylthiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235061
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 114446694
4-bromo-5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-2-methylpyridazin-3-one
CID 133303035

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (CID 115624125) is 4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is Cn1cc(CNc2cnn(C)c(=O)c2Br)cn1.
What is the InChIKey of 4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The InChIKey is XDWDFEIKSYZYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-15-6-7(4-13-15)3-12-8-5-14-16(2)10(17)9(8)11/h4-6,12H,3H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one has a molecular weight of 298.14 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 115624125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).