ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate

C11H13N3O3S — CID 10220997

IUPACethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c2csc(N)c2c1=O
InChIInChI=1S/C11H13N3O3S/c1-3-17-8(15)4-14-11(16)9-7(6(2)13-14)5-18-10(9)12/h5H,3-4,12H2,1-2H3
InChIKeyBCYIQSPFOWKQKH-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.91
Rot. Bonds3

About ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate

ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate (PubChem CID 10220997) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate
PubChem CID10220997
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Nameethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c2csc(N)c2c1=O
InChIInChI=1S/C11H13N3O3S/c1-3-17-8(15)4-14-11(16)9-7(6(2)13-14)5-18-10(9)12/h5H,3-4,12H2,1-2H3
InChIKeyBCYIQSPFOWKQKH-UHFFFAOYSA-N
XLogP0.91
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate (CID 10220997) is ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate is CCOC(=O)Cn1nc(C)c2csc(N)c2c1=O.
What is the InChIKey of ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate?
The InChIKey is BCYIQSPFOWKQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-3-17-8(15)4-14-11(16)9-7(6(2)13-14)5-18-10(9)12/h5H,3-4,12H2,1-2H3.
What are the key properties of ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate?
ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate has a molecular weight of 267.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-1-methyl-4-oxothieno[3,4-d]pyridazin-3-yl)acetate is sourced from PubChem (CID 10220997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).