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

C4H9N3O — CID 19007060

IUPACazane;3,5-dimethyl-1,2,4-oxadiazole
SMILESCc1noc(C)n1.N
InChIInChI=1S/C4H6N2O.H3N/c1-3-5-4(2)7-6-3;/h1-2H3;1H3
InChIKeyUOXDAJOTSZSSEH-UHFFFAOYSA-N
MW115.14 g/mol
LogP0.85
Rot. Bonds

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

azane;3,5-dimethyl-1,2,4-oxadiazole (PubChem CID 19007060) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is azane;3,5-dimethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Nameazane;3,5-dimethyl-1,2,4-oxadiazole
PubChem CID19007060
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Nameazane;3,5-dimethyl-1,2,4-oxadiazole
SMILESCc1noc(C)n1.N
InChIInChI=1S/C4H6N2O.H3N/c1-3-5-4(2)7-6-3;/h1-2H3;1H3
InChIKeyUOXDAJOTSZSSEH-UHFFFAOYSA-N
XLogP0.85
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;3,5-dimethyl-1,2,4-oxadiazole?
The IUPAC name of azane;3,5-dimethyl-1,2,4-oxadiazole (CID 19007060) is azane;3,5-dimethyl-1,2,4-oxadiazole.
What is the SMILES notation for azane;3,5-dimethyl-1,2,4-oxadiazole?
The canonical SMILES for azane;3,5-dimethyl-1,2,4-oxadiazole is Cc1noc(C)n1.N.
What is the InChIKey of azane;3,5-dimethyl-1,2,4-oxadiazole?
The InChIKey is UOXDAJOTSZSSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.H3N/c1-3-5-4(2)7-6-3;/h1-2H3;1H3.
What are the key properties of azane;3,5-dimethyl-1,2,4-oxadiazole?
azane;3,5-dimethyl-1,2,4-oxadiazole has a molecular weight of 115.14 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,5-dimethyl-1,2,4-oxadiazole is sourced from PubChem (CID 19007060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).