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

C5H7N3O — CID 68903331

IUPAC7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
SMILESc1nc2n(n1)COCC2
InChIInChI=1S/C5H7N3O/c1-2-9-4-8-5(1)6-3-7-8/h3H,1-2,4H2
InChIKeyJSGNSEZAYUUUDH-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.19
Rot. Bonds

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

7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine (PubChem CID 68903331) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine.

Molecular Properties

Compound Name7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
PubChem CID68903331
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
SMILESc1nc2n(n1)COCC2
InChIInChI=1S/C5H7N3O/c1-2-9-4-8-5(1)6-3-7-8/h3H,1-2,4H2
InChIKeyJSGNSEZAYUUUDH-UHFFFAOYSA-N
XLogP-0.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The IUPAC name of 7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine (CID 68903331) is 7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine.
What is the SMILES notation for 7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The canonical SMILES for 7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine is c1nc2n(n1)COCC2.
What is the InChIKey of 7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The InChIKey is JSGNSEZAYUUUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-2-9-4-8-5(1)6-3-7-8/h3H,1-2,4H2.
What are the key properties of 7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine has a molecular weight of 125.13 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine is sourced from PubChem (CID 68903331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).