5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one

C15H19N3O2S — CID 114396227

IUPAC5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(=O)c2ccc(C)s2)c(=O)c1
InChIInChI=1S/C15H19N3O2S/c1-4-17(5-2)12-8-15(20)18(16-9-12)10-13(19)14-7-6-11(3)21-14/h6-9H,4-5,10H2,1-3H3
InChIKeyZQZMBPRMBYEGGX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.34
Rot. Bonds6

About 5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one

5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 114396227) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID114396227
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(=O)c2ccc(C)s2)c(=O)c1
InChIInChI=1S/C15H19N3O2S/c1-4-17(5-2)12-8-15(20)18(16-9-12)10-13(19)14-7-6-11(3)21-14/h6-9H,4-5,10H2,1-3H3
InChIKeyZQZMBPRMBYEGGX-UHFFFAOYSA-N
XLogP2.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396013
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114396212
2-[2-(chloromethyl)prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103065887
2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile
CID 114395707
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one
CID 166162773
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
CID 114396959
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid
CID 114394039
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
5-(diethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397680

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one (CID 114396227) is 5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one is CCN(CC)c1cnn(CC(=O)c2ccc(C)s2)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is ZQZMBPRMBYEGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-17(5-2)12-8-15(20)18(16-9-12)10-13(19)14-7-6-11(3)21-14/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 305.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 114396227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).