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

C8H16N3O+ — CID 6946224

IUPACdiethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium
SMILESCC[NH+](CC)Cc1nonc1C
InChIInChI=1S/C8H15N3O/c1-4-11(5-2)6-8-7(3)9-12-10-8/h4-6H2,1-3H3/p+1
InChIKeyYHIIXCRCOYDICX-UHFFFAOYSA-O
MW170.24 g/mol
LogP-0.20
Rot. Bonds4

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

diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium (PubChem CID 6946224) has the molecular formula C8H16N3O+ and a molecular weight of 170.24 g/mol. Its IUPAC name is diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium.

Molecular Properties

Compound Namediethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium
PubChem CID6946224
Molecular FormulaC8H16N3O+
Molecular Weight170.24 g/mol
Exact Mass170.13
IUPAC Namediethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium
SMILESCC[NH+](CC)Cc1nonc1C
InChIInChI=1S/C8H15N3O/c1-4-11(5-2)6-8-7(3)9-12-10-8/h4-6H2,1-3H3/p+1
InChIKeyYHIIXCRCOYDICX-UHFFFAOYSA-O
XLogP-0.20
TPSA43.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium?
The IUPAC name of diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium (CID 6946224) is diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium.
What is the SMILES notation for diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium?
The canonical SMILES for diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium is CC[NH+](CC)Cc1nonc1C.
What is the InChIKey of diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium?
The InChIKey is YHIIXCRCOYDICX-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N3O/c1-4-11(5-2)6-8-7(3)9-12-10-8/h4-6H2,1-3H3/p+1.
What are the key properties of diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium?
diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium has a molecular weight of 170.24 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azanium is sourced from PubChem (CID 6946224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).