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

C6H9N3O — CID 76614913

IUPAC8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCC1OCCn2cnnc21
InChIInChI=1S/C6H9N3O/c1-5-6-8-7-4-9(6)2-3-10-5/h4-5H,2-3H2,1H3
InChIKeyJCYJSYXSOQFNPJ-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.37
Rot. Bonds

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

8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 76614913) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID76614913
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCC1OCCn2cnnc21
InChIInChI=1S/C6H9N3O/c1-5-6-8-7-4-9(6)2-3-10-5/h4-5H,2-3H2,1H3
InChIKeyJCYJSYXSOQFNPJ-UHFFFAOYSA-N
XLogP0.37
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 76614913) is 8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is CC1OCCn2cnnc21.
What is the InChIKey of 8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is JCYJSYXSOQFNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5-6-8-7-4-9(6)2-3-10-5/h4-5H,2-3H2,1H3.
What are the key properties of 8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 139.16 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 76614913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).