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

C7H11N5O — CID 160885935

IUPAC3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole
SMILESCc1ncn[nH]1.Cc1noc(C)n1
InChIInChI=1S/C4H6N2O.C3H5N3/c1-3-5-4(2)7-6-3;1-3-4-2-5-6-3/h1-2H3;2H,1H3,(H,4,5,6)
InChIKeySNQAIBJNZGYHPU-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.80
Rot. Bonds

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

3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole (PubChem CID 160885935) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole
PubChem CID160885935
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole
SMILESCc1ncn[nH]1.Cc1noc(C)n1
InChIInChI=1S/C4H6N2O.C3H5N3/c1-3-5-4(2)7-6-3;1-3-4-2-5-6-3/h1-2H3;2H,1H3,(H,4,5,6)
InChIKeySNQAIBJNZGYHPU-UHFFFAOYSA-N
XLogP0.80
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole (CID 160885935) is 3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole is Cc1ncn[nH]1.Cc1noc(C)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole?
The InChIKey is SNQAIBJNZGYHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.C3H5N3/c1-3-5-4(2)7-6-3;1-3-4-2-5-6-3/h1-2H3;2H,1H3,(H,4,5,6).
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole?
3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 181.20 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 160885935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).