ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate

C13H17N3O3S — CID 168979929

IUPACethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate
SMILESCCOC(=O)Cn1nc(CC)c2cc(NC)sc2c1=O
InChIInChI=1S/C13H17N3O3S/c1-4-9-8-6-10(14-3)20-12(8)13(18)16(15-9)7-11(17)19-5-2/h6,14H,4-5,7H2,1-3H3
InChIKeyCLVWGPCRFHPUKG-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.63
Rot. Bonds5

About ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate

ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate (PubChem CID 168979929) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate
PubChem CID168979929
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Nameethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate
SMILESCCOC(=O)Cn1nc(CC)c2cc(NC)sc2c1=O
InChIInChI=1S/C13H17N3O3S/c1-4-9-8-6-10(14-3)20-12(8)13(18)16(15-9)7-11(17)19-5-2/h6,14H,4-5,7H2,1-3H3
InChIKeyCLVWGPCRFHPUKG-UHFFFAOYSA-N
XLogP1.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate?
The IUPAC name of ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate (CID 168979929) is ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate.
What is the SMILES notation for ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate?
The canonical SMILES for ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate is CCOC(=O)Cn1nc(CC)c2cc(NC)sc2c1=O.
What is the InChIKey of ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate?
The InChIKey is CLVWGPCRFHPUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-4-9-8-6-10(14-3)20-12(8)13(18)16(15-9)7-11(17)19-5-2/h6,14H,4-5,7H2,1-3H3.
What are the key properties of ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate?
ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate has a molecular weight of 295.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-ethyl-2-(methylamino)-7-oxothieno[2,3-d]pyridazin-6-yl]acetate is sourced from PubChem (CID 168979929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).