5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine

C9H15N3O — CID 146338787

IUPAC5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
SMILESCC(C)(C)C1CCn2ncnc2O1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-5-12-8(13-7)10-6-11-12/h6-7H,4-5H2,1-3H3
InChIKeyQXYBEGJPXWHUMZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.48
Rot. Bonds

About 5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine

5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine (PubChem CID 146338787) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
PubChem CID146338787
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
SMILESCC(C)(C)C1CCn2ncnc2O1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-5-12-8(13-7)10-6-11-12/h6-7H,4-5H2,1-3H3
InChIKeyQXYBEGJPXWHUMZ-UHFFFAOYSA-N
XLogP1.48
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
CID 146338746
7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
CID 146338792
7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 146339081
7-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine
CID 146339086
6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine
CID 146339087
7-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
CID 164828622
6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine;2-methylpropane
CID 178045223

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
The IUPAC name of 5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine (CID 146338787) is 5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine is CC(C)(C)C1CCn2ncnc2O1.
What is the InChIKey of 5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
The InChIKey is QXYBEGJPXWHUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)7-4-5-12-8(13-7)10-6-11-12/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine has a molecular weight of 181.24 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 146338787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).