5-pyridazin-4-yl-1,2,4-oxadiazole

C6H4N4O — CID 139534038

IUPAC5-pyridazin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2ncno2)cnn1
InChIInChI=1S/C6H4N4O/c1-2-8-9-3-5(1)6-7-4-10-11-6/h1-4H
InChIKeyVGYLWFHUIXBBPA-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.53
Rot. Bonds1

About 5-pyridazin-4-yl-1,2,4-oxadiazole

5-pyridazin-4-yl-1,2,4-oxadiazole (PubChem CID 139534038) has the molecular formula C6H4N4O and a molecular weight of 148.12 g/mol. Its IUPAC name is 5-pyridazin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pyridazin-4-yl-1,2,4-oxadiazole
PubChem CID139534038
Molecular FormulaC6H4N4O
Molecular Weight148.12 g/mol
Exact Mass148.04
IUPAC Name5-pyridazin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2ncno2)cnn1
InChIInChI=1S/C6H4N4O/c1-2-8-9-3-5(1)6-7-4-10-11-6/h1-4H
InChIKeyVGYLWFHUIXBBPA-UHFFFAOYSA-N
XLogP0.53
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridazin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-pyridazin-4-yl-1,2,4-oxadiazole (CID 139534038) is 5-pyridazin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-pyridazin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-pyridazin-4-yl-1,2,4-oxadiazole is c1cc(-c2ncno2)cnn1.
What is the InChIKey of 5-pyridazin-4-yl-1,2,4-oxadiazole?
The InChIKey is VGYLWFHUIXBBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O/c1-2-8-9-3-5(1)6-7-4-10-11-6/h1-4H.
What are the key properties of 5-pyridazin-4-yl-1,2,4-oxadiazole?
5-pyridazin-4-yl-1,2,4-oxadiazole has a molecular weight of 148.12 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridazin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 139534038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).