4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one

C11H12ClN3OS — CID 47281719

IUPAC4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
SMILESCc1ccc(CNc2cnn(C)c(=O)c2Cl)s1
InChIInChI=1S/C11H12ClN3OS/c1-7-3-4-8(17-7)5-13-9-6-14-15(2)11(16)10(9)12/h3-4,6,13H,5H2,1-2H3
InChIKeyLUSPRAKUXOXIGQ-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.42
Rot. Bonds3

About 4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one

4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one (PubChem CID 47281719) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
PubChem CID47281719
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
SMILESCc1ccc(CNc2cnn(C)c(=O)c2Cl)s1
InChIInChI=1S/C11H12ClN3OS/c1-7-3-4-8(17-7)5-13-9-6-14-15(2)11(16)10(9)12/h3-4,6,13H,5H2,1-2H3
InChIKeyLUSPRAKUXOXIGQ-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 114436764
4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235057
4-[[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382261
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
4-chloro-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
CID 113222227
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
CID 114444517
4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one
CID 104576609
4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115621009
4-bromo-2-ethyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 114436760
4-bromo-5-[(5-ethylthiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235061
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one (CID 47281719) is 4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one is Cc1ccc(CNc2cnn(C)c(=O)c2Cl)s1.
What is the InChIKey of 4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one?
The InChIKey is LUSPRAKUXOXIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-7-3-4-8(17-7)5-13-9-6-14-15(2)11(16)10(9)12/h3-4,6,13H,5H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one?
4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one has a molecular weight of 269.76 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 47281719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).