3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole

C7H12N6O — CID 157241277

IUPAC3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole
SMILESCc1nnn(C)n1.Cc1noc(C)n1
InChIInChI=1S/C4H6N2O.C3H6N4/c1-3-5-4(2)7-6-3;1-3-4-6-7(2)5-3/h2*1-2H3
InChIKeyAVFZPQZAWRGPEL-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.20
Rot. Bonds

About 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole

3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole (PubChem CID 157241277) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole
PubChem CID157241277
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole
SMILESCc1nnn(C)n1.Cc1noc(C)n1
InChIInChI=1S/C4H6N2O.C3H6N4/c1-3-5-4(2)7-6-3;1-3-4-6-7(2)5-3/h2*1-2H3
InChIKeyAVFZPQZAWRGPEL-UHFFFAOYSA-N
XLogP0.20
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole (CID 157241277) is 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole is Cc1nnn(C)n1.Cc1noc(C)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole?
The InChIKey is AVFZPQZAWRGPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.C3H6N4/c1-3-5-4(2)7-6-3;1-3-4-6-7(2)5-3/h2*1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole?
3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole has a molecular weight of 196.21 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole is sourced from PubChem (CID 157241277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).