2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid

C12H15N3O5 — CID 66421356

IUPAC2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCn1nc(C(=O)N2CCOC(CC(=O)O)C2)ccc1=O
InChIInChI=1S/C12H15N3O5/c1-14-10(16)3-2-9(13-14)12(19)15-4-5-20-8(7-15)6-11(17)18/h2-3,8H,4-7H2,1H3,(H,17,18)
InChIKeyUBUROQYYEOVJMN-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.90
Rot. Bonds3

About 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid

2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66421356) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66421356
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCn1nc(C(=O)N2CCOC(CC(=O)O)C2)ccc1=O
InChIInChI=1S/C12H15N3O5/c1-14-10(16)3-2-9(13-14)12(19)15-4-5-20-8(7-15)6-11(17)18/h2-3,8H,4-7H2,1H3,(H,17,18)
InChIKeyUBUROQYYEOVJMN-UHFFFAOYSA-N
XLogP-0.90
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid (CID 66421356) is 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid is Cn1nc(C(=O)N2CCOC(CC(=O)O)C2)ccc1=O.
What is the InChIKey of 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is UBUROQYYEOVJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-14-10(16)3-2-9(13-14)12(19)15-4-5-20-8(7-15)6-11(17)18/h2-3,8H,4-7H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).