2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid

C12H15N3O6 — CID 66433022

IUPAC2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCO1
InChIInChI=1S/C12H15N3O6/c16-9-1-2-10(17)15(13-9)7-11(18)14-3-4-21-8(6-14)5-12(19)20/h1-2,8H,3-7H2,(H,13,16)(H,19,20)
InChIKeyIFFUEILMYGVEEO-UHFFFAOYSA-N
MW297.27 g/mol
LogP-1.76
Rot. Bonds4

About 2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid

2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 66433022) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid
PubChem CID66433022
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCO1
InChIInChI=1S/C12H15N3O6/c16-9-1-2-10(17)15(13-9)7-11(18)14-3-4-21-8(6-14)5-12(19)20/h1-2,8H,3-7H2,(H,13,16)(H,19,20)
InChIKeyIFFUEILMYGVEEO-UHFFFAOYSA-N
XLogP-1.76
TPSA121.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid (CID 66433022) is 2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCO1.
What is the InChIKey of 2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is IFFUEILMYGVEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c16-9-1-2-10(17)15(13-9)7-11(18)14-3-4-21-8(6-14)5-12(19)20/h1-2,8H,3-7H2,(H,13,16)(H,19,20).
What are the key properties of 2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid?
2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 297.27 g/mol, XLogP of -1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).