methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate

C10H13N3O4 — CID 94903520

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1cccnn1
InChIInChI=1S/C10H13N3O4/c1-16-9(14)6-13(7-10(15)17-2)8-4-3-5-11-12-8/h3-5H,6-7H2,1-2H3
InChIKeyRCAIMKHSQCOAAO-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.37
Rot. Bonds5

About methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate (PubChem CID 94903520) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate
PubChem CID94903520
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1cccnn1
InChIInChI=1S/C10H13N3O4/c1-16-9(14)6-13(7-10(15)17-2)8-4-3-5-11-12-8/h3-5H,6-7H2,1-2H3
InChIKeyRCAIMKHSQCOAAO-UHFFFAOYSA-N
XLogP-0.37
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(2-methoxy-2-oxoethyl)-(6-methoxy-2-pyridinyl)amino]acetate
CID 63588742
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate
CID 115372990
2-[2-methoxyethyl(pyridazin-3-yl)amino]ethanol
CID 115672575
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate
CID 114998997
methyl 2-[(4-carbamothioyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956262
methyl 3-(pyridazin-3-ylamino)propanoate
CID 62482435
3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile
CID 63286635
methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103204961
methyl 2-[nitroso(pyridin-2-yl)amino]acetate
CID 100988337
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796877

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate (CID 94903520) is methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate is COC(=O)CN(CC(=O)OC)c1cccnn1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate?
The InChIKey is RCAIMKHSQCOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-16-9(14)6-13(7-10(15)17-2)8-4-3-5-11-12-8/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate has a molecular weight of 239.23 g/mol, XLogP of -0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate is sourced from PubChem (CID 94903520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).