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

C8H13N3O — CID 142249214

IUPACethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESC=C.CC1OCCn2cnnc21
InChIInChI=1S/C6H9N3O.C2H4/c1-5-6-8-7-4-9(6)2-3-10-5;1-2/h4-5H,2-3H2,1H3;1-2H2
InChIKeyDONIVAVEWUIBGD-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.17
Rot. Bonds

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

ethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 142249214) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is ethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Nameethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID142249214
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Nameethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESC=C.CC1OCCn2cnnc21
InChIInChI=1S/C6H9N3O.C2H4/c1-5-6-8-7-4-9(6)2-3-10-5;1-2/h4-5H,2-3H2,1H3;1-2H2
InChIKeyDONIVAVEWUIBGD-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of ethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 142249214) is ethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for ethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for ethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is C=C.CC1OCCn2cnnc21.
What is the InChIKey of ethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is DONIVAVEWUIBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.C2H4/c1-5-6-8-7-4-9(6)2-3-10-5;1-2/h4-5H,2-3H2,1H3;1-2H2.
What are the key properties of ethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
ethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 167.21 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 142249214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).