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

C7H11N3O — CID 89233292

IUPAC3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
SMILESCCc1nnc2n1COCC2
InChIInChI=1S/C7H11N3O/c1-2-6-8-9-7-3-4-11-5-10(6)7/h2-5H2,1H3
InChIKeyUJMQRDDNLPDERH-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.37
Rot. Bonds1

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

3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine (PubChem CID 89233292) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine.

Molecular Properties

Compound Name3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
PubChem CID89233292
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
SMILESCCc1nnc2n1COCC2
InChIInChI=1S/C7H11N3O/c1-2-6-8-9-7-3-4-11-5-10(6)7/h2-5H2,1H3
InChIKeyUJMQRDDNLPDERH-UHFFFAOYSA-N
XLogP0.37
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The IUPAC name of 3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine (CID 89233292) is 3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine.
What is the SMILES notation for 3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The canonical SMILES for 3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine is CCc1nnc2n1COCC2.
What is the InChIKey of 3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The InChIKey is UJMQRDDNLPDERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-6-8-9-7-3-4-11-5-10(6)7/h2-5H2,1H3.
What are the key properties of 3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine has a molecular weight of 153.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine is sourced from PubChem (CID 89233292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).