methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate

C11H15N3O4 — CID 54960640

IUPACmethyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)C(C)Nc1ccc(C(=O)OC)nn1
InChIInChI=1S/C11H15N3O4/c1-4-18-10(15)7(2)12-9-6-5-8(13-14-9)11(16)17-3/h5-7H,4H2,1-3H3,(H,12,14)
InChIKeyCJJDMPMAZRTTHL-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.63
Rot. Bonds5

About methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate

methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate (PubChem CID 54960640) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
PubChem CID54960640
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)C(C)Nc1ccc(C(=O)OC)nn1
InChIInChI=1S/C11H15N3O4/c1-4-18-10(15)7(2)12-9-6-5-8(13-14-9)11(16)17-3/h5-7H,4H2,1-3H3,(H,12,14)
InChIKeyCJJDMPMAZRTTHL-UHFFFAOYSA-N
XLogP0.63
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate (CID 54960640) is methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate is CCOC(=O)C(C)Nc1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate?
The InChIKey is CJJDMPMAZRTTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-4-18-10(15)7(2)12-9-6-5-8(13-14-9)11(16)17-3/h5-7H,4H2,1-3H3,(H,12,14).
What are the key properties of methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate?
methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 54960640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).