7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine

C9H15N3O — CID 146339068

IUPAC7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine
SMILESCC(C)(C)C1COn2cnnc2C1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-8-11-10-6-12(8)13-5-7/h6-7H,4-5H2,1-3H3
InChIKeyLRHPBRFGFOYFNX-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.93
Rot. Bonds

About 7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine

7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine (PubChem CID 146339068) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine.

Molecular Properties

Compound Name7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine
PubChem CID146339068
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine
SMILESCC(C)(C)C1COn2cnnc2C1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-8-11-10-6-12(8)13-5-7/h6-7H,4-5H2,1-3H3
InChIKeyLRHPBRFGFOYFNX-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine?
The IUPAC name of 7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine (CID 146339068) is 7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine.
What is the SMILES notation for 7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine?
The canonical SMILES for 7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine is CC(C)(C)C1COn2cnnc2C1.
What is the InChIKey of 7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine?
The InChIKey is LRHPBRFGFOYFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)7-4-8-11-10-6-12(8)13-5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine?
7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine has a molecular weight of 181.24 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine is sourced from PubChem (CID 146339068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).