4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one

C10H9BrClN3OS — CID 113235057

IUPAC4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2ccc(Cl)s2)c(Br)c1=O
InChIInChI=1S/C10H9BrClN3OS/c1-15-10(16)9(11)7(5-14-15)13-4-6-2-3-8(12)17-6/h2-3,5,13H,4H2,1H3
InChIKeyGSDDROZZAOULCN-UHFFFAOYSA-N
MW334.63 g/mol
LogP2.87
Rot. Bonds3

About 4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one

4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one (PubChem CID 113235057) has the molecular formula C10H9BrClN3OS and a molecular weight of 334.63 g/mol. Its IUPAC name is 4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one
PubChem CID113235057
Molecular FormulaC10H9BrClN3OS
Molecular Weight334.63 g/mol
Exact Mass332.93
IUPAC Name4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2ccc(Cl)s2)c(Br)c1=O
InChIInChI=1S/C10H9BrClN3OS/c1-15-10(16)9(11)7(5-14-15)13-4-6-2-3-8(12)17-6/h2-3,5,13H,4H2,1H3
InChIKeyGSDDROZZAOULCN-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(5-ethylthiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235061
4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114438575
4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 47281719
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
CID 84583923
4-bromo-2-ethyl-5-[(5-ethylthiophen-2-yl)methylamino]pyridazin-3-one
CID 106013419
4-bromo-2-methyl-5-[(4-methylthiophen-3-yl)methylamino]pyridazin-3-one
CID 114440266
4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115624220
4-bromo-2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 113243855
4-bromo-2-ethyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 114436760
4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
CID 115624005
4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434340

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one (CID 113235057) is 4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one is Cn1ncc(NCc2ccc(Cl)s2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is GSDDROZZAOULCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3OS/c1-15-10(16)9(11)7(5-14-15)13-4-6-2-3-8(12)17-6/h2-3,5,13H,4H2,1H3.
What are the key properties of 4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one?
4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 334.63 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 113235057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).