2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid

C11H15N3O4 — CID 43356279

IUPAC2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(=O)c(C(=O)N(C)CC(=O)O)c1C
InChIInChI=1S/C11H15N3O4/c1-6-7(2)12-14(4)11(18)9(6)10(17)13(3)5-8(15)16/h5H2,1-4H3,(H,15,16)
InChIKeyKZGWTKAYCGEDTF-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.45
Rot. Bonds3

About 2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid

2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid (PubChem CID 43356279) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
PubChem CID43356279
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(=O)c(C(=O)N(C)CC(=O)O)c1C
InChIInChI=1S/C11H15N3O4/c1-6-7(2)12-14(4)11(18)9(6)10(17)13(3)5-8(15)16/h5H2,1-4H3,(H,15,16)
InChIKeyKZGWTKAYCGEDTF-UHFFFAOYSA-N
XLogP-0.45
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid (CID 43356279) is 2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid is Cc1nn(C)c(=O)c(C(=O)N(C)CC(=O)O)c1C.
What is the InChIKey of 2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
The InChIKey is KZGWTKAYCGEDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-7(2)12-14(4)11(18)9(6)10(17)13(3)5-8(15)16/h5H2,1-4H3,(H,15,16).
What are the key properties of 2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 43356279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).