7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

C7H11N3O2 — CID 101375966

IUPAC7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCCOC1COCc2cnnn21
InChIInChI=1S/C7H11N3O2/c1-2-12-7-5-11-4-6-3-8-9-10(6)7/h3,7H,2,4-5H2,1H3
InChIKeyLIYFQPYYABKRER-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.34
Rot. Bonds2

About 7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 101375966) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID101375966
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCCOC1COCc2cnnn21
InChIInChI=1S/C7H11N3O2/c1-2-12-7-5-11-4-6-3-8-9-10(6)7/h3,7H,2,4-5H2,1H3
InChIKeyLIYFQPYYABKRER-UHFFFAOYSA-N
XLogP0.34
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 101375966) is 7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is CCOC1COCc2cnnn21.
What is the InChIKey of 7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is LIYFQPYYABKRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-12-7-5-11-4-6-3-8-9-10(6)7/h3,7H,2,4-5H2,1H3.
What are the key properties of 7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 169.18 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 101375966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).