6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid

C11H17N3O4 — CID 43352949

IUPAC6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H17N3O4/c15-9-6-5-8(13-14-9)11(18)12-7-3-1-2-4-10(16)17/h1-7H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeySZRBFTLMAOUOOA-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.01
Rot. Bonds7

About 6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid

6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid (PubChem CID 43352949) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid
PubChem CID43352949
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H17N3O4/c15-9-6-5-8(13-14-9)11(18)12-7-3-1-2-4-10(16)17/h1-7H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeySZRBFTLMAOUOOA-UHFFFAOYSA-N
XLogP0.01
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate
CID 30785624
7-[(1-Methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]heptanoic acid
CID 43172057
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 43172713
6-[(1-Methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid
CID 43352923
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 43354862
4-[(1-Methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 43355089
4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 43355116
7-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]heptanoic acid
CID 43359003
methyl 6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoate
CID 43404594
2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 43469457
2-[(1-Methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid
CID 43469755
2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid
CID 43469793

Frequently Asked Questions

What is the IUPAC name of 6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid (CID 43352949) is 6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of 6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid?
The InChIKey is SZRBFTLMAOUOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-9-6-5-8(13-14-9)11(18)12-7-3-1-2-4-10(16)17/h1-7H2,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid?
6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43352949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).