2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one

C13H15N3O2 — CID 121300786

IUPAC2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one
SMILESCc1ccc2c(c1)-n1c(nn(C)c1=O)C(C)(C)O2
InChIInChI=1S/C13H15N3O2/c1-8-5-6-10-9(7-8)16-11(13(2,3)18-10)14-15(4)12(16)17/h5-7H,1-4H3
InChIKeyXADFSGJQBCWPEP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.51
Rot. Bonds

About 2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one

2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one (PubChem CID 121300786) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one.

Molecular Properties

Compound Name2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one
PubChem CID121300786
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one
SMILESCc1ccc2c(c1)-n1c(nn(C)c1=O)C(C)(C)O2
InChIInChI=1S/C13H15N3O2/c1-8-5-6-10-9(7-8)16-11(13(2,3)18-10)14-15(4)12(16)17/h5-7H,1-4H3
InChIKeyXADFSGJQBCWPEP-UHFFFAOYSA-N
XLogP1.51
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one?
The IUPAC name of 2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one (CID 121300786) is 2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one.
What is the SMILES notation for 2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one?
The canonical SMILES for 2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one is Cc1ccc2c(c1)-n1c(nn(C)c1=O)C(C)(C)O2.
What is the InChIKey of 2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one?
The InChIKey is XADFSGJQBCWPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-5-6-10-9(7-8)16-11(13(2,3)18-10)14-15(4)12(16)17/h5-7H,1-4H3.
What are the key properties of 2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one?
2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one has a molecular weight of 245.28 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,8-tetramethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one is sourced from PubChem (CID 121300786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).