3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine

C8H13N3O — CID 59299798

IUPAC3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCc1nnc2n1CCOC2(C)C
InChIInChI=1S/C8H13N3O/c1-6-9-10-7-8(2,3)12-5-4-11(6)7/h4-5H2,1-3H3
InChIKeyKJHRRTHTLUZJGK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.85
Rot. Bonds

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

3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 59299798) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID59299798
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCc1nnc2n1CCOC2(C)C
InChIInChI=1S/C8H13N3O/c1-6-9-10-7-8(2,3)12-5-4-11(6)7/h4-5H2,1-3H3
InChIKeyKJHRRTHTLUZJGK-UHFFFAOYSA-N
XLogP0.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 59299798) is 3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine is Cc1nnc2n1CCOC2(C)C.
What is the InChIKey of 3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is KJHRRTHTLUZJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-9-10-7-8(2,3)12-5-4-11(6)7/h4-5H2,1-3H3.
What are the key properties of 3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine?
3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 167.21 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 59299798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).