3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole

C6H6N4O2 — CID 135398153

IUPAC3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole
SMILESCc1nonc1-c1nonc1C
InChIInChI=1S/C6H6N4O2/c1-3-5(9-11-7-3)6-4(2)8-12-10-6/h1-2H3
InChIKeyJKRGBEABMSCIOW-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.74
Rot. Bonds1

About 3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole

3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole (PubChem CID 135398153) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole
PubChem CID135398153
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole
SMILESCc1nonc1-c1nonc1C
InChIInChI=1S/C6H6N4O2/c1-3-5(9-11-7-3)6-4(2)8-12-10-6/h1-2H3
InChIKeyJKRGBEABMSCIOW-UHFFFAOYSA-N
XLogP0.74
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole (CID 135398153) is 3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole is Cc1nonc1-c1nonc1C.
What is the InChIKey of 3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole?
The InChIKey is JKRGBEABMSCIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-3-5(9-11-7-3)6-4(2)8-12-10-6/h1-2H3.
What are the key properties of 3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole?
3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole has a molecular weight of 166.14 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole is sourced from PubChem (CID 135398153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).