6-(pyridazine-4-carbonylamino)hexanoic acid

C11H15N3O3 — CID 112555129

IUPAC6-(pyridazine-4-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccnnc1
InChIInChI=1S/C11H15N3O3/c15-10(16)4-2-1-3-6-12-11(17)9-5-7-13-14-8-9/h5,7-8H,1-4,6H2,(H,12,17)(H,15,16)
InChIKeyDHGBOIZUYMJTPV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.85
Rot. Bonds7

About 6-(pyridazine-4-carbonylamino)hexanoic acid

6-(pyridazine-4-carbonylamino)hexanoic acid (PubChem CID 112555129) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(pyridazine-4-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(pyridazine-4-carbonylamino)hexanoic acid
PubChem CID112555129
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-(pyridazine-4-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccnnc1
InChIInChI=1S/C11H15N3O3/c15-10(16)4-2-1-3-6-12-11(17)9-5-7-13-14-8-9/h5,7-8H,1-4,6H2,(H,12,17)(H,15,16)
InChIKeyDHGBOIZUYMJTPV-UHFFFAOYSA-N
XLogP0.85
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)pyridazine-4-carboxamide
CID 106843632
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752452
5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 66463056
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid
CID 107834971
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
N-(2-sulfamoylethyl)pyridazine-4-carboxamide
CID 115769360
7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
CID 119350798
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895

Frequently Asked Questions

What is the IUPAC name of 6-(pyridazine-4-carbonylamino)hexanoic acid?
The IUPAC name of 6-(pyridazine-4-carbonylamino)hexanoic acid (CID 112555129) is 6-(pyridazine-4-carbonylamino)hexanoic acid.
What is the SMILES notation for 6-(pyridazine-4-carbonylamino)hexanoic acid?
The canonical SMILES for 6-(pyridazine-4-carbonylamino)hexanoic acid is O=C(O)CCCCCNC(=O)c1ccnnc1.
What is the InChIKey of 6-(pyridazine-4-carbonylamino)hexanoic acid?
The InChIKey is DHGBOIZUYMJTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10(16)4-2-1-3-6-12-11(17)9-5-7-13-14-8-9/h5,7-8H,1-4,6H2,(H,12,17)(H,15,16).
What are the key properties of 6-(pyridazine-4-carbonylamino)hexanoic acid?
6-(pyridazine-4-carbonylamino)hexanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridazine-4-carbonylamino)hexanoic acid is sourced from PubChem (CID 112555129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).