6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one

C15H11N5O2 — CID 10085761

IUPAC6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3n[nH]nc3-c3ccccn3)cc2N1
InChIInChI=1S/C15H11N5O2/c21-13-8-22-12-5-4-9(7-11(12)17-13)14-15(19-20-18-14)10-3-1-2-6-16-10/h1-7H,8H2,(H,17,21)(H,18,19,20)
InChIKeyNYTKXYSJQQRMGH-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.86
Rot. Bonds2

About 6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one

6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 10085761) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one
PubChem CID10085761
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3n[nH]nc3-c3ccccn3)cc2N1
InChIInChI=1S/C15H11N5O2/c21-13-8-22-12-5-4-9(7-11(12)17-13)14-15(19-20-18-14)10-3-1-2-6-16-10/h1-7H,8H2,(H,17,21)(H,18,19,20)
InChIKeyNYTKXYSJQQRMGH-UHFFFAOYSA-N
XLogP1.86
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-(3-chlorophenyl)-2H-triazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 10215193
6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 56641613
6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 86093145
6-(3-methyl-4-oxophthalazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 1472754
[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]-phenylazanium
CID 163690268
6-(4-oxo-3-phenylphthalazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 1472682
6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one
CID 39199500
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
6-(4-ethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 117001077
6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride
CID 42918979
6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259
6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one
CID 56641349

Frequently Asked Questions

What is the IUPAC name of 6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one (CID 10085761) is 6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(-c3n[nH]nc3-c3ccccn3)cc2N1.
What is the InChIKey of 6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is NYTKXYSJQQRMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c21-13-8-22-12-5-4-9(7-11(12)17-13)14-15(19-20-18-14)10-3-1-2-6-16-10/h1-7H,8H2,(H,17,21)(H,18,19,20).
What are the key properties of 6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one?
6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 293.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 10085761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).