5-(6-oxopyridazin-1-yl)pentanoic acid

C9H12N2O3 — CID 62850664

IUPAC5-(6-oxopyridazin-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1ncccc1=O
InChIInChI=1S/C9H12N2O3/c12-8-4-3-6-10-11(8)7-2-1-5-9(13)14/h3-4,6H,1-2,5,7H2,(H,13,14)
InChIKeyMTDPVDGAVIWXIR-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.50
Rot. Bonds5

About 5-(6-oxopyridazin-1-yl)pentanoic acid

5-(6-oxopyridazin-1-yl)pentanoic acid (PubChem CID 62850664) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(6-oxopyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(6-oxopyridazin-1-yl)pentanoic acid
PubChem CID62850664
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-(6-oxopyridazin-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1ncccc1=O
InChIInChI=1S/C9H12N2O3/c12-8-4-3-6-10-11(8)7-2-1-5-9(13)14/h3-4,6H,1-2,5,7H2,(H,13,14)
InChIKeyMTDPVDGAVIWXIR-UHFFFAOYSA-N
XLogP0.50
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-oxopyridazin-1-yl)pentanoic acid?
The IUPAC name of 5-(6-oxopyridazin-1-yl)pentanoic acid (CID 62850664) is 5-(6-oxopyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(6-oxopyridazin-1-yl)pentanoic acid?
The canonical SMILES for 5-(6-oxopyridazin-1-yl)pentanoic acid is O=C(O)CCCCn1ncccc1=O.
What is the InChIKey of 5-(6-oxopyridazin-1-yl)pentanoic acid?
The InChIKey is MTDPVDGAVIWXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8-4-3-6-10-11(8)7-2-1-5-9(13)14/h3-4,6H,1-2,5,7H2,(H,13,14).
What are the key properties of 5-(6-oxopyridazin-1-yl)pentanoic acid?
5-(6-oxopyridazin-1-yl)pentanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxopyridazin-1-yl)pentanoic acid is sourced from PubChem (CID 62850664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).