pyridazin-4-yl formate

C5H4N2O2 — CID 57129540

IUPACpyridazin-4-yl formate
SMILESO=COc1ccnnc1
InChIInChI=1S/C5H4N2O2/c8-4-9-5-1-2-6-7-3-5/h1-4H
InChIKeyLKKHMBHZDSYLEV-UHFFFAOYSA-N
MW124.10 g/mol
LogP0.01
Rot. Bonds2

About pyridazin-4-yl formate

pyridazin-4-yl formate (PubChem CID 57129540) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is pyridazin-4-yl formate.

Molecular Properties

Compound Namepyridazin-4-yl formate
PubChem CID57129540
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Namepyridazin-4-yl formate
SMILESO=COc1ccnnc1
InChIInChI=1S/C5H4N2O2/c8-4-9-5-1-2-6-7-3-5/h1-4H
InChIKeyLKKHMBHZDSYLEV-UHFFFAOYSA-N
XLogP0.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyridazin-4-yl formate?
The IUPAC name of pyridazin-4-yl formate (CID 57129540) is pyridazin-4-yl formate.
What is the SMILES notation for pyridazin-4-yl formate?
The canonical SMILES for pyridazin-4-yl formate is O=COc1ccnnc1.
What is the InChIKey of pyridazin-4-yl formate?
The InChIKey is LKKHMBHZDSYLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c8-4-9-5-1-2-6-7-3-5/h1-4H.
What are the key properties of pyridazin-4-yl formate?
pyridazin-4-yl formate has a molecular weight of 124.10 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-yl formate is sourced from PubChem (CID 57129540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).