2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

C15H17N3O2S — CID 114396013

IUPAC2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCc1ccc(C(=O)Cn2ncc(N3CCCC3)cc2=O)s1
InChIInChI=1S/C15H17N3O2S/c1-11-4-5-14(21-11)13(19)10-18-15(20)8-12(9-16-18)17-6-2-3-7-17/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyCKGZHYZYOAWLFC-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114396013) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114396013
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCc1ccc(C(=O)Cn2ncc(N3CCCC3)cc2=O)s1
InChIInChI=1S/C15H17N3O2S/c1-11-4-5-14(21-11)13(19)10-18-15(20)8-12(9-16-18)17-6-2-3-7-17/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyCKGZHYZYOAWLFC-UHFFFAOYSA-N
XLogP2.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one
CID 114396227
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one
CID 166162773
potassium trifluoro-[3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746473
N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 56854370
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 72930044
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 72893188
5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 114396319
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 114396013) is 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is Cc1ccc(C(=O)Cn2ncc(N3CCCC3)cc2=O)s1.
What is the InChIKey of 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is CKGZHYZYOAWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-4-5-14(21-11)13(19)10-18-15(20)8-12(9-16-18)17-6-2-3-7-17/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 303.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114396013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).