ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate

C13H21N3O4 — CID 114394003

IUPACethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C13H21N3O4/c1-4-15(3)10-6-12(18)16(14-8-10)9-11(17)7-13(19)20-5-2/h6,8,11,17H,4-5,7,9H2,1-3H3
InChIKeyYHOINQOTUSGSLT-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.01
Rot. Bonds7

About ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate

ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate (PubChem CID 114394003) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate
PubChem CID114394003
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Nameethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C13H21N3O4/c1-4-15(3)10-6-12(18)16(14-8-10)9-11(17)7-13(19)20-5-2/h6,8,11,17H,4-5,7,9H2,1-3H3
InChIKeyYHOINQOTUSGSLT-UHFFFAOYSA-N
XLogP0.01
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
The IUPAC name of ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate (CID 114394003) is ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate is CCOC(=O)CC(O)Cn1ncc(N(C)CC)cc1=O.
What is the InChIKey of ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
The InChIKey is YHOINQOTUSGSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-4-15(3)10-6-12(18)16(14-8-10)9-11(17)7-13(19)20-5-2/h6,8,11,17H,4-5,7,9H2,1-3H3.
What are the key properties of ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate has a molecular weight of 283.33 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-hydroxybutanoate is sourced from PubChem (CID 114394003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).