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

C10H11BrN4OS — CID 115624005

IUPAC4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
SMILESCc1csc(CNc2cnn(C)c(=O)c2Br)n1
InChIInChI=1S/C10H11BrN4OS/c1-6-5-17-8(14-6)4-12-7-3-13-15(2)10(16)9(7)11/h3,5,12H,4H2,1-2H3
InChIKeyJURZINKQVCYUEY-UHFFFAOYSA-N
MW315.20 g/mol
LogP1.92
Rot. Bonds3

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

4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one (PubChem CID 115624005) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
PubChem CID115624005
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
SMILESCc1csc(CNc2cnn(C)c(=O)c2Br)n1
InChIInChI=1S/C10H11BrN4OS/c1-6-5-17-8(14-6)4-12-7-3-13-15(2)10(16)9(7)11/h3,5,12H,4H2,1-2H3
InChIKeyJURZINKQVCYUEY-UHFFFAOYSA-N
XLogP1.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
CID 113222227
4-bromo-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114434588
4-bromo-2-methyl-5-[(4-methylthiophen-3-yl)methylamino]pyridazin-3-one
CID 114440266
4-bromo-2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 113243855
4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114434597
4-bromo-5-[(5-ethylthiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235061
4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235057
4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115624220
methyl 2-[5-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-6-oxopyridazin-1-yl]acetate
CID 114434598
4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
CID 84583923
4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
CID 103736991
4-bromo-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one
CID 114694720

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one (CID 115624005) is 4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one is Cc1csc(CNc2cnn(C)c(=O)c2Br)n1.
What is the InChIKey of 4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one?
The InChIKey is JURZINKQVCYUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-6-5-17-8(14-6)4-12-7-3-13-15(2)10(16)9(7)11/h3,5,12H,4H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one has a molecular weight of 315.20 g/mol, XLogP of 1.92, 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-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 115624005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).