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

C12H19N3O4 — CID 43469755

IUPAC2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-3-4-5-9(12(18)19)13-11(17)8-6-7-10(16)15(2)14-8/h9H,3-7H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyQGSOBSGCOQUYGZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.35
Rot. Bonds6

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

2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid (PubChem CID 43469755) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid
PubChem CID43469755
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-3-4-5-9(12(18)19)13-11(17)8-6-7-10(16)15(2)14-8/h9H,3-7H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyQGSOBSGCOQUYGZ-UHFFFAOYSA-N
XLogP0.35
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid (CID 43469755) is 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O.
What is the InChIKey of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid?
The InChIKey is QGSOBSGCOQUYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-4-5-9(12(18)19)13-11(17)8-6-7-10(16)15(2)14-8/h9H,3-7H2,1-2H3,(H,13,17)(H,18,19).
What are the key properties of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid?
2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43469755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).