3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

C14H17N3O2 — CID 136551578

IUPAC3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCOc1ccc(CCc2nnc3n2CCOC3)cc1
InChIInChI=1S/C14H17N3O2/c1-18-12-5-2-11(3-6-12)4-7-13-15-16-14-10-19-9-8-17(13)14/h2-3,5-6H,4,7-10H2,1H3
InChIKeyILWXBTHYPVVZRH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.60
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 136551578) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID136551578
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCOc1ccc(CCc2nnc3n2CCOC3)cc1
InChIInChI=1S/C14H17N3O2/c1-18-12-5-2-11(3-6-12)4-7-13-15-16-14-10-19-9-8-17(13)14/h2-3,5-6H,4,7-10H2,1H3
InChIKeyILWXBTHYPVVZRH-UHFFFAOYSA-N
XLogP1.60
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 136551578) is 3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is COc1ccc(CCc2nnc3n2CCOC3)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is ILWXBTHYPVVZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-12-5-2-11(3-6-12)4-7-13-15-16-14-10-19-9-8-17(13)14/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 259.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 136551578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).