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

C11H11N3O — CID 3060517

IUPAC3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESc1ccc(-c2nnc3n2CCOC3)cc1
InChIInChI=1S/C11H11N3O/c1-2-4-9(5-3-1)11-13-12-10-8-15-7-6-14(10)11/h1-5H,6-8H2
InChIKeyMIDOTNANWUWDSU-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.48
Rot. Bonds1

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

3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 3060517) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID3060517
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESc1ccc(-c2nnc3n2CCOC3)cc1
InChIInChI=1S/C11H11N3O/c1-2-4-9(5-3-1)11-13-12-10-8-15-7-6-14(10)11/h1-5H,6-8H2
InChIKeyMIDOTNANWUWDSU-UHFFFAOYSA-N
XLogP1.48
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 3060517) is 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is c1ccc(-c2nnc3n2CCOC3)cc1.
What is the InChIKey of 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is MIDOTNANWUWDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-4-9(5-3-1)11-13-12-10-8-15-7-6-14(10)11/h1-5H,6-8H2.
What are the key properties of 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 201.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 3060517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).