methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate

C10H14N4O4 — CID 11780049

IUPACmethyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate
SMILESCOC(=O)CNc1ccc(NCC(=O)OC)nn1
InChIInChI=1S/C10H14N4O4/c1-17-9(15)5-11-7-3-4-8(14-13-7)12-6-10(16)18-2/h3-4H,5-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyJJXAPPGVUHKNGJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.35
Rot. Bonds6

About methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate

methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate (PubChem CID 11780049) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate
PubChem CID11780049
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Namemethyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate
SMILESCOC(=O)CNc1ccc(NCC(=O)OC)nn1
InChIInChI=1S/C10H14N4O4/c1-17-9(15)5-11-7-3-4-8(14-13-7)12-6-10(16)18-2/h3-4H,5-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyJJXAPPGVUHKNGJ-UHFFFAOYSA-N
XLogP-0.35
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate (CID 11780049) is methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate is COC(=O)CNc1ccc(NCC(=O)OC)nn1.
What is the InChIKey of methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate?
The InChIKey is JJXAPPGVUHKNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-17-9(15)5-11-7-3-4-8(14-13-7)12-6-10(16)18-2/h3-4H,5-6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate?
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate has a molecular weight of 254.25 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]pyridazin-3-yl]amino]acetate is sourced from PubChem (CID 11780049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).