3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine

C7H11N3O — CID 130374296

IUPAC3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
SMILESCc1nnc2n1C(C)OCC2
InChIInChI=1S/C7H11N3O/c1-5-8-9-7-3-4-11-6(2)10(5)7/h6H,3-4H2,1-2H3
InChIKeyRRIKUVGEYWVROJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.68
Rot. Bonds

About 3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine

3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine (PubChem CID 130374296) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine.

Molecular Properties

Compound Name3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
PubChem CID130374296
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
SMILESCc1nnc2n1C(C)OCC2
InChIInChI=1S/C7H11N3O/c1-5-8-9-7-3-4-11-6(2)10(5)7/h6H,3-4H2,1-2H3
InChIKeyRRIKUVGEYWVROJ-UHFFFAOYSA-N
XLogP0.68
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The IUPAC name of 3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine (CID 130374296) is 3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine.
What is the SMILES notation for 3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The canonical SMILES for 3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine is Cc1nnc2n1C(C)OCC2.
What is the InChIKey of 3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The InChIKey is RRIKUVGEYWVROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-8-9-7-3-4-11-6(2)10(5)7/h6H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine has a molecular weight of 153.18 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine is sourced from PubChem (CID 130374296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).