8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

C9H15N3O — CID 146338789

IUPAC8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCC(C)(C)C1OCCn2ncnc21
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-8-10-6-11-12(8)4-5-13-7/h6-7H,4-5H2,1-3H3
InChIKeyGRTNAEBEDGVXOZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.40
Rot. Bonds

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

8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (PubChem CID 146338789) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
PubChem CID146338789
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCC(C)(C)C1OCCn2ncnc21
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-8-10-6-11-12(8)4-5-13-7/h6-7H,4-5H2,1-3H3
InChIKeyGRTNAEBEDGVXOZ-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559766
3-[(1S)-1-(2-methoxyethoxy)ethyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 164631363
(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 57802971
3,8,8-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 59299798
3-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 59539722
3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 67622783
2-bromo-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 67798785
8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 76614913
2,8,8-Trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 89227226
8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine
CID 130056967
2-(2-Methylbutan-2-yl)-5,8-dihydro-[1,2,4]triazolo[1,5-d][1,2,4]dioxazine
CID 132246520
3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 136551567

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (CID 146338789) is 8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is CC(C)(C)C1OCCn2ncnc21.
What is the InChIKey of 8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The InChIKey is GRTNAEBEDGVXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)7-8-10-6-11-12(8)4-5-13-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine has a molecular weight of 181.24 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 146338789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).