ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate

C16H23N3O3S — CID 168979846

IUPACethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate
SMILESCCOC(=O)Cn1nc(C(C)C)c2cc(N(C)CC)sc2c1=O
InChIInChI=1S/C16H23N3O3S/c1-6-18(5)12-8-11-14(10(3)4)17-19(9-13(20)22-7-2)16(21)15(11)23-12/h8,10H,6-7,9H2,1-5H3
InChIKeyNUOOBAWOJCBIRL-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.60
Rot. Bonds6

About ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate

ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate (PubChem CID 168979846) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate
PubChem CID168979846
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Nameethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate
SMILESCCOC(=O)Cn1nc(C(C)C)c2cc(N(C)CC)sc2c1=O
InChIInChI=1S/C16H23N3O3S/c1-6-18(5)12-8-11-14(10(3)4)17-19(9-13(20)22-7-2)16(21)15(11)23-12/h8,10H,6-7,9H2,1-5H3
InChIKeyNUOOBAWOJCBIRL-UHFFFAOYSA-N
XLogP2.60
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate?
The IUPAC name of ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate (CID 168979846) is ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate?
The canonical SMILES for ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate is CCOC(=O)Cn1nc(C(C)C)c2cc(N(C)CC)sc2c1=O.
What is the InChIKey of ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate?
The InChIKey is NUOOBAWOJCBIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-6-18(5)12-8-11-14(10(3)4)17-19(9-13(20)22-7-2)16(21)15(11)23-12/h8,10H,6-7,9H2,1-5H3.
What are the key properties of ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate?
ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate has a molecular weight of 337.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[ethyl(methyl)amino]-7-oxo-4-propan-2-ylthieno[2,3-d]pyridazin-6-yl]acetate is sourced from PubChem (CID 168979846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).