1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

C17H15N3O2 — CID 24847208

IUPAC1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCCOc1ccc(-c2nnc3n2-c2ccccc2OC3)cc1
InChIInChI=1S/C17H15N3O2/c1-2-21-13-9-7-12(8-10-13)17-19-18-16-11-22-15-6-4-3-5-14(15)20(16)17/h3-10H,2,11H2,1H3
InChIKeyLVLDZNPQACNEBU-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.23
Rot. Bonds3

About 1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (PubChem CID 24847208) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
PubChem CID24847208
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCCOc1ccc(-c2nnc3n2-c2ccccc2OC3)cc1
InChIInChI=1S/C17H15N3O2/c1-2-21-13-9-7-12(8-10-13)17-19-18-16-11-22-15-6-4-3-5-14(15)20(16)17/h3-10H,2,11H2,1H3
InChIKeyLVLDZNPQACNEBU-UHFFFAOYSA-N
XLogP3.23
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name of 1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (CID 24847208) is 1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The canonical SMILES for 1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is CCOc1ccc(-c2nnc3n2-c2ccccc2OC3)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is LVLDZNPQACNEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-21-13-9-7-12(8-10-13)17-19-18-16-11-22-15-6-4-3-5-14(15)20(16)17/h3-10H,2,11H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine has a molecular weight of 293.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is sourced from PubChem (CID 24847208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).