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

C12H19N3O4 — CID 82854892

IUPAC5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H19N3O4/c1-8(4-3-5-11(17)18)13-12(19)9-6-7-10(16)15(2)14-9/h8H,3-7H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyPGZDQNXBUGRETJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.35
Rot. Bonds6

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

5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid (PubChem CID 82854892) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid
PubChem CID82854892
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H19N3O4/c1-8(4-3-5-11(17)18)13-12(19)9-6-7-10(16)15(2)14-9/h8H,3-7H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyPGZDQNXBUGRETJ-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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Related Compounds

(2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 61131453
3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 43170671
5-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43171957
4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 61243686
(2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 114004932
(2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 61152190
3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 81362997
2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 80539041
4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
CID 62042860
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 93054890
1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38041767
(2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid
CID 61143499

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid (CID 82854892) is 5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid?
The InChIKey is PGZDQNXBUGRETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(4-3-5-11(17)18)13-12(19)9-6-7-10(16)15(2)14-9/h8H,3-7H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid?
5-[(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 5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82854892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).