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

C6H9N3O — CID 59299797

IUPAC3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCc1nnc2n1CCOC2
InChIInChI=1S/C6H9N3O/c1-5-7-8-6-4-10-3-2-9(5)6/h2-4H2,1H3
InChIKeyFLYFEAOMSULRDK-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.12
Rot. Bonds

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

3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 59299797) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID59299797
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCc1nnc2n1CCOC2
InChIInChI=1S/C6H9N3O/c1-5-7-8-6-4-10-3-2-9(5)6/h2-4H2,1H3
InChIKeyFLYFEAOMSULRDK-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 59299797) is 3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is Cc1nnc2n1CCOC2.
What is the InChIKey of 3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is FLYFEAOMSULRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5-7-8-6-4-10-3-2-9(5)6/h2-4H2,1H3.
What are the key properties of 3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
3-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 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 59299797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).