trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium

C7H14N3O+ — CID 14742607

IUPACtrimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium
SMILESCc1noc(C[N+](C)(C)C)n1
InChIInChI=1S/C7H14N3O/c1-6-8-7(11-9-6)5-10(2,3)4/h5H2,1-4H3/q+1
InChIKeyWGLAXUXPUOOPIL-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.58
Rot. Bonds2

About trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium

trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium (PubChem CID 14742607) has the molecular formula C7H14N3O+ and a molecular weight of 156.21 g/mol. Its IUPAC name is trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium
PubChem CID14742607
Molecular FormulaC7H14N3O+
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Nametrimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium
SMILESCc1noc(C[N+](C)(C)C)n1
InChIInChI=1S/C7H14N3O/c1-6-8-7(11-9-6)5-10(2,3)4/h5H2,1-4H3/q+1
InChIKeyWGLAXUXPUOOPIL-UHFFFAOYSA-N
XLogP0.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium?
The IUPAC name of trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium (CID 14742607) is trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium is Cc1noc(C[N+](C)(C)C)n1.
What is the InChIKey of trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium?
The InChIKey is WGLAXUXPUOOPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N3O/c1-6-8-7(11-9-6)5-10(2,3)4/h5H2,1-4H3/q+1.
What are the key properties of trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium?
trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium has a molecular weight of 156.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium is sourced from PubChem (CID 14742607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).