4-methoxypyridazine

C5H6N2O — CID 14792125

IUPAC4-methoxypyridazine
SMILESCOc1ccnnc1
InChIInChI=1S/C5H6N2O/c1-8-5-2-3-6-7-4-5/h2-4H,1H3
InChIKeyNSGNREBTEFKPIL-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.49
Rot. Bonds1

About 4-methoxypyridazine

4-methoxypyridazine (PubChem CID 14792125) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 4-methoxypyridazine.

Molecular Properties

Compound Name4-methoxypyridazine
PubChem CID14792125
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name4-methoxypyridazine
SMILESCOc1ccnnc1
InChIInChI=1S/C5H6N2O/c1-8-5-2-3-6-7-4-5/h2-4H,1H3
InChIKeyNSGNREBTEFKPIL-UHFFFAOYSA-N
XLogP0.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxypyridazine?
The IUPAC name of 4-methoxypyridazine (CID 14792125) is 4-methoxypyridazine.
What is the SMILES notation for 4-methoxypyridazine?
The canonical SMILES for 4-methoxypyridazine is COc1ccnnc1.
What is the InChIKey of 4-methoxypyridazine?
The InChIKey is NSGNREBTEFKPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-8-5-2-3-6-7-4-5/h2-4H,1H3.
What are the key properties of 4-methoxypyridazine?
4-methoxypyridazine has a molecular weight of 110.12 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyridazine is sourced from PubChem (CID 14792125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).