3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one

C16H11N3O3 — CID 132607297

IUPAC3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one
SMILESCOc1ccccc1-c1nnn2c1oc(=O)c1ccccc12
InChIInChI=1S/C16H11N3O3/c1-21-13-9-5-3-7-11(13)14-15-19(18-17-14)12-8-4-2-6-10(12)16(20)22-15/h2-9H,1H3
InChIKeyAOTOXZLLGDGTHB-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.51
Rot. Bonds2

About 3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one

3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one (PubChem CID 132607297) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one
PubChem CID132607297
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one
SMILESCOc1ccccc1-c1nnn2c1oc(=O)c1ccccc12
InChIInChI=1S/C16H11N3O3/c1-21-13-9-5-3-7-11(13)14-15-19(18-17-14)12-8-4-2-6-10(12)16(20)22-15/h2-9H,1H3
InChIKeyAOTOXZLLGDGTHB-UHFFFAOYSA-N
XLogP2.51
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one?
The IUPAC name of 3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one (CID 132607297) is 3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one.
What is the SMILES notation for 3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one?
The canonical SMILES for 3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one is COc1ccccc1-c1nnn2c1oc(=O)c1ccccc12.
What is the InChIKey of 3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one?
The InChIKey is AOTOXZLLGDGTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c1-21-13-9-5-3-7-11(13)14-15-19(18-17-14)12-8-4-2-6-10(12)16(20)22-15/h2-9H,1H3.
What are the key properties of 3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one?
3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one has a molecular weight of 293.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one is sourced from PubChem (CID 132607297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).