bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole

C12H19N7O2 — CID 160607532

IUPACbis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole
SMILESCc1n[nH]c(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C4H7N3.2C4H6N2O/c3*1-3-5-4(2)7-6-3/h1-2H3,(H,5,6,7);2*1-2H3
InChIKeyRFBQFULJZKYVGZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.79
Rot. Bonds

About bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole

bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole (PubChem CID 160607532) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Namebis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole
PubChem CID160607532
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Namebis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole
SMILESCc1n[nH]c(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C4H7N3.2C4H6N2O/c3*1-3-5-4(2)7-6-3/h1-2H3,(H,5,6,7);2*1-2H3
InChIKeyRFBQFULJZKYVGZ-UHFFFAOYSA-N
XLogP1.79
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
CID 167249403
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 91843547

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole?
The IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole (CID 160607532) is bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole.
What is the SMILES notation for bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole?
The canonical SMILES for bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole is Cc1n[nH]c(C)n1.Cc1noc(C)n1.Cc1noc(C)n1.
What is the InChIKey of bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole?
The InChIKey is RFBQFULJZKYVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.2C4H6N2O/c3*1-3-5-4(2)7-6-3/h1-2H3,(H,5,6,7);2*1-2H3.
What are the key properties of bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole?
bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole has a molecular weight of 293.33 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole is sourced from PubChem (CID 160607532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).