2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid

C9H13N3O4 — CID 43171163

IUPAC2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C9H13N3O4/c1-11(5-8(14)15)9(16)6-3-4-7(13)12(2)10-6/h3-5H2,1-2H3,(H,14,15)
InChIKeyHVDQBSBTROROFV-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.86
Rot. Bonds3

About 2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid

2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid (PubChem CID 43171163) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
PubChem CID43171163
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C9H13N3O4/c1-11(5-8(14)15)9(16)6-3-4-7(13)12(2)10-6/h3-5H2,1-2H3,(H,14,15)
InChIKeyHVDQBSBTROROFV-UHFFFAOYSA-N
XLogP-0.86
TPSA90.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43170939
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CID 43171173
CID 43171173
CID 43172428
CID 43172428
CID 43354487
CID 43354487
CID 43354512
CID 43354512
CID 43355353
CID 43355353
CID 43355380
CID 43355380
CID 43407514
CID 43407514
CID 43409005
CID 43409005

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid (CID 43171163) is 2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
The InChIKey is HVDQBSBTROROFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-11(5-8(14)15)9(16)6-3-4-7(13)12(2)10-6/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid has a molecular weight of 227.22 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 43171163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).