4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one

C17H18N2OS2 — CID 132969782

IUPAC4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one
SMILESCc1cc(-c2cnn(C)c(=O)c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C17H18N2OS2/c1-9-6-13(11(3)21-9)15-8-18-19(5)17(20)16(15)14-7-10(2)22-12(14)4/h6-8H,1-5H3
InChIKeyCZFGNFHISVDOKI-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.47
Rot. Bonds2

About 4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one

4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one (PubChem CID 132969782) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one
PubChem CID132969782
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one
SMILESCc1cc(-c2cnn(C)c(=O)c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C17H18N2OS2/c1-9-6-13(11(3)21-9)15-8-18-19(5)17(20)16(15)14-7-10(2)22-12(14)4/h6-8H,1-5H3
InChIKeyCZFGNFHISVDOKI-UHFFFAOYSA-N
XLogP4.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylpyridazin-3-one
CID 115580005
2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one
CID 143625525
5,6-bis(2,5-dimethylthiophen-3-yl)-3,8-dimethyl-1,10-phenanthroline
CID 177421357
2,3-dichloro-5-methyl-1H-pyrrolo[2,3-d]pyridazin-4-one
CID 135667580
4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one
CID 5303533
2,6,7-trimethylphthalazin-1-one
CID 10899398
3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
CID 135502832
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43751841
4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one
CID 117127654
[2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol
CID 63108391
5-(2,5-dimethylthiophen-3-yl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 106510610

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one?
The IUPAC name of 4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one (CID 132969782) is 4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one?
The canonical SMILES for 4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one is Cc1cc(-c2cnn(C)c(=O)c2-c2cc(C)sc2C)c(C)s1.
What is the InChIKey of 4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one?
The InChIKey is CZFGNFHISVDOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-9-6-13(11(3)21-9)15-8-18-19(5)17(20)16(15)14-7-10(2)22-12(14)4/h6-8H,1-5H3.
What are the key properties of 4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one?
4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one has a molecular weight of 330.48 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one is sourced from PubChem (CID 132969782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).