1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

C10H7N3O2 — CID 90219930

IUPAC1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
SMILESO=C1CN2C(=COc3ccccc32)N=N1
InChIInChI=1S/C10H7N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4,6H,5H2
InChIKeyJNDNRIVHCZNDIV-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.68
Rot. Bonds

About 1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one (PubChem CID 90219930) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one.

Molecular Properties

Compound Name1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
PubChem CID90219930
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
SMILESO=C1CN2C(=COc3ccccc32)N=N1
InChIInChI=1S/C10H7N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4,6H,5H2
InChIKeyJNDNRIVHCZNDIV-UHFFFAOYSA-N
XLogP1.68
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-4H-triazol-5-one
CID 19371918
5-methyl-4H-1,5-benzoxazepin-3-one
CID 83668267
3H-thieno[3,4-c][1]benzoxepin-1-one
CID 70499394
2-(3-amino-1,2-benzoxazin-2-yl)propane-2-thiol
CID 170309467
2-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 114992061
3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one
CID 67533600
3,4-dichloro-2H-1,5-benzodioxepine
CID 86025414
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
CID 82391483
6-(2,3-dihydro-1,4-benzoxazin-4-yl)pyridazine-4-carboxylic acid
CID 117102852
3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 166994674
4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 43646805

Frequently Asked Questions

What is the IUPAC name of 1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?
The IUPAC name of 1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one (CID 90219930) is 1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one.
What is the SMILES notation for 1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?
The canonical SMILES for 1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one is O=C1CN2C(=COc3ccccc32)N=N1.
What is the InChIKey of 1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?
The InChIKey is JNDNRIVHCZNDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4,6H,5H2.
What are the key properties of 1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?
1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one has a molecular weight of 201.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one is sourced from PubChem (CID 90219930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).