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

C9H15N3O — CID 146339088

IUPAC6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine
SMILESCC(C)(C)C1CCc2nncn2O1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-5-8-11-10-6-12(8)13-7/h6-7H,4-5H2,1-3H3
InChIKeyUTVCUBCJGPMUOU-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.07
Rot. Bonds

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

6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine (PubChem CID 146339088) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine.

Molecular Properties

Compound Name6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine
PubChem CID146339088
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine
SMILESCC(C)(C)C1CCc2nncn2O1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-5-8-11-10-6-12(8)13-7/h6-7H,4-5H2,1-3H3
InChIKeyUTVCUBCJGPMUOU-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
CID 146338792
8-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine
CID 146338793
7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine
CID 146339068
7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 146339081
7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine
CID 153319551
8-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine
CID 153319585
6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine
CID 153319619
8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine
CID 170079469

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine?
The IUPAC name of 6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine (CID 146339088) is 6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine.
What is the SMILES notation for 6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine?
The canonical SMILES for 6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine is CC(C)(C)C1CCc2nncn2O1.
What is the InChIKey of 6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine?
The InChIKey is UTVCUBCJGPMUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)7-4-5-8-11-10-6-12(8)13-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine?
6-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 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine is sourced from PubChem (CID 146339088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).