3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole

C8H18N6O — CID 158096008

IUPAC3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole
SMILESC.C.Cc1nn[nH]n1.Cc1noc(C)n1
InChIInChI=1S/C4H6N2O.C2H4N4.2CH4/c1-3-5-4(2)7-6-3;1-2-3-5-6-4-2;;/h1-2H3;1H3,(H,3,4,5,6);2*1H4
InChIKeyFORBZUORGNRKRS-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.47
Rot. Bonds

About 3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole

3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole (PubChem CID 158096008) has the molecular formula C8H18N6O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole
PubChem CID158096008
Molecular FormulaC8H18N6O
Molecular Weight214.27 g/mol
Exact Mass214.15
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole
SMILESC.C.Cc1nn[nH]n1.Cc1noc(C)n1
InChIInChI=1S/C4H6N2O.C2H4N4.2CH4/c1-3-5-4(2)7-6-3;1-2-3-5-6-4-2;;/h1-2H3;1H3,(H,3,4,5,6);2*1H4
InChIKeyFORBZUORGNRKRS-UHFFFAOYSA-N
XLogP1.47
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole (CID 158096008) is 3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole is C.C.Cc1nn[nH]n1.Cc1noc(C)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole?
The InChIKey is FORBZUORGNRKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.C2H4N4.2CH4/c1-3-5-4(2)7-6-3;1-2-3-5-6-4-2;;/h1-2H3;1H3,(H,3,4,5,6);2*1H4.
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole?
3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole has a molecular weight of 214.27 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole is sourced from PubChem (CID 158096008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).