6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

C9H15N3O — CID 146339078

IUPAC6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCC(C)(C)C1Cn2cnnc2CO1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-12-6-10-11-8(12)5-13-7/h6-7H,4-5H2,1-3H3
InChIKeyHEQSNPAWNRCEKO-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.22
Rot. Bonds

About 6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 146339078) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID146339078
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCC(C)(C)C1Cn2cnnc2CO1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-12-6-10-11-8(12)5-13-7/h6-7H,4-5H2,1-3H3
InChIKeyHEQSNPAWNRCEKO-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
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-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 58784021
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
8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 76614913
3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 89019139
2,8,8-Trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 89227226
3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 136551567
6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 141744090

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 146339078) is 6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is CC(C)(C)C1Cn2cnnc2CO1.
What is the InChIKey of 6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is HEQSNPAWNRCEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)7-4-12-6-10-11-8(12)5-13-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 181.24 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 146339078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).