butyl 2-(6-oxopyridazin-1-yl)acetate

C10H14N2O3 — CID 62849245

IUPACbutyl 2-(6-oxopyridazin-1-yl)acetate
SMILESCCCCOC(=O)Cn1ncccc1=O
InChIInChI=1S/C10H14N2O3/c1-2-3-7-15-10(14)8-12-9(13)5-4-6-11-12/h4-6H,2-3,7-8H2,1H3
InChIKeyFXSGQTMXEZLZCW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.59
Rot. Bonds5

About butyl 2-(6-oxopyridazin-1-yl)acetate

butyl 2-(6-oxopyridazin-1-yl)acetate (PubChem CID 62849245) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is butyl 2-(6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(6-oxopyridazin-1-yl)acetate
PubChem CID62849245
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namebutyl 2-(6-oxopyridazin-1-yl)acetate
SMILESCCCCOC(=O)Cn1ncccc1=O
InChIInChI=1S/C10H14N2O3/c1-2-3-7-15-10(14)8-12-9(13)5-4-6-11-12/h4-6H,2-3,7-8H2,1H3
InChIKeyFXSGQTMXEZLZCW-UHFFFAOYSA-N
XLogP0.59
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 butyl 2-(6-oxopyridazin-1-yl)acetate?
The IUPAC name of butyl 2-(6-oxopyridazin-1-yl)acetate (CID 62849245) is butyl 2-(6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for butyl 2-(6-oxopyridazin-1-yl)acetate?
The canonical SMILES for butyl 2-(6-oxopyridazin-1-yl)acetate is CCCCOC(=O)Cn1ncccc1=O.
What is the InChIKey of butyl 2-(6-oxopyridazin-1-yl)acetate?
The InChIKey is FXSGQTMXEZLZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-7-15-10(14)8-12-9(13)5-4-6-11-12/h4-6H,2-3,7-8H2,1H3.
What are the key properties of butyl 2-(6-oxopyridazin-1-yl)acetate?
butyl 2-(6-oxopyridazin-1-yl)acetate has a molecular weight of 210.23 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 62849245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).