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

C9H15N3O — CID 146339087

IUPAC6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine
SMILESCC(C)(C)C1COc2nncn2C1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-12-6-10-11-8(12)13-5-7/h6-7H,4-5H2,1-3H3
InChIKeyNZADFCJSVFBNDM-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.33
Rot. Bonds

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

6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine (PubChem CID 146339087) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine.

Molecular Properties

Compound Name6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine
PubChem CID146339087
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine
SMILESCC(C)(C)C1COc2nncn2C1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-12-6-10-11-8(12)13-5-7/h6-7H,4-5H2,1-3H3
InChIKeyNZADFCJSVFBNDM-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine?
The IUPAC name of 6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine (CID 146339087) is 6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine.
What is the SMILES notation for 6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine?
The canonical SMILES for 6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine is CC(C)(C)C1COc2nncn2C1.
What is the InChIKey of 6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine?
The InChIKey is NZADFCJSVFBNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)7-4-12-6-10-11-8(12)13-5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine?
6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine has a molecular weight of 181.24 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine is sourced from PubChem (CID 146339087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).