3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

C7H11N3O — CID 89019139

IUPAC3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCCc1nnc2n1CCOC2
InChIInChI=1S/C7H11N3O/c1-2-6-8-9-7-5-11-4-3-10(6)7/h2-5H2,1H3
InChIKeyVMAGJMMVTVLUJF-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.37
Rot. Bonds1

About 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 89019139) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID89019139
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCCc1nnc2n1CCOC2
InChIInChI=1S/C7H11N3O/c1-2-6-8-9-7-5-11-4-3-10(6)7/h2-5H2,1H3
InChIKeyVMAGJMMVTVLUJF-UHFFFAOYSA-N
XLogP0.37
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 89019139) is 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is CCc1nnc2n1CCOC2.
What is the InChIKey of 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is VMAGJMMVTVLUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-6-8-9-7-5-11-4-3-10(6)7/h2-5H2,1H3.
What are the key properties of 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 153.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 89019139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).