2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid

C11H17N3O4 — CID 43469793

IUPAC2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-2-3-4-8(11(17)18)12-10(16)7-5-6-9(15)14-13-7/h8H,2-6H2,1H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyKDQWQHFNLOIKRV-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.01
Rot. Bonds6

About 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid

2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid (PubChem CID 43469793) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid
PubChem CID43469793
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-2-3-4-8(11(17)18)12-10(16)7-5-6-9(15)14-13-7/h8H,2-6H2,1H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyKDQWQHFNLOIKRV-UHFFFAOYSA-N
XLogP0.01
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid (CID 43469793) is 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)C1=NNC(=O)CC1)C(=O)O.
What is the InChIKey of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid?
The InChIKey is KDQWQHFNLOIKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-3-4-8(11(17)18)12-10(16)7-5-6-9(15)14-13-7/h8H,2-6H2,1H3,(H,12,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid?
2-[(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, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43469793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).