6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine

C5H7N3O — CID 68975481

IUPAC6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
SMILESc1nc2n(n1)CCCO2
InChIInChI=1S/C5H7N3O/c1-2-8-5(9-3-1)6-4-7-8/h4H,1-3H2
InChIKeyPWXAKXZUUPGRIN-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.06
Rot. Bonds

About 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine

6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine (PubChem CID 68975481) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
PubChem CID68975481
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
SMILESc1nc2n(n1)CCCO2
InChIInChI=1S/C5H7N3O/c1-2-8-5(9-3-1)6-4-7-8/h4H,1-3H2
InChIKeyPWXAKXZUUPGRIN-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
The IUPAC name of 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine (CID 68975481) is 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine is c1nc2n(n1)CCCO2.
What is the InChIKey of 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
The InChIKey is PWXAKXZUUPGRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-2-8-5(9-3-1)6-4-7-8/h4H,1-3H2.
What are the key properties of 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine has a molecular weight of 125.13 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 68975481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).