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

C8H13N3O — CID 89227226

IUPAC2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1nc2n(n1)CCOC2(C)C
InChIInChI=1S/C8H13N3O/c1-6-9-7-8(2,3)12-5-4-11(7)10-6/h4-5H2,1-3H3
InChIKeyPSOIQMPBYWOFOM-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.85
Rot. Bonds

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

2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine (PubChem CID 89227226) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine
PubChem CID89227226
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1nc2n(n1)CCOC2(C)C
InChIInChI=1S/C8H13N3O/c1-6-9-7-8(2,3)12-5-4-11(7)10-6/h4-5H2,1-3H3
InChIKeyPSOIQMPBYWOFOM-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 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine (CID 89227226) is 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine is Cc1nc2n(n1)CCOC2(C)C.
What is the InChIKey of 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The InChIKey is PSOIQMPBYWOFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-9-7-8(2,3)12-5-4-11(7)10-6/h4-5H2,1-3H3.
What are the key properties of 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine?
2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-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 2,8,8-trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 89227226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).