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

C16H11N3O2 — CID 132607295

IUPAC3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one
SMILESCc1ccccc1-c1nnn2c1oc(=O)c1ccccc12
InChIInChI=1S/C16H11N3O2/c1-10-6-2-3-7-11(10)14-15-19(18-17-14)13-9-5-4-8-12(13)16(20)21-15/h2-9H,1H3
InChIKeyHCAXNPLLIKXMCN-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.81
Rot. Bonds1

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

3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one (PubChem CID 132607295) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one.

Molecular Properties

Compound Name3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one
PubChem CID132607295
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one
SMILESCc1ccccc1-c1nnn2c1oc(=O)c1ccccc12
InChIInChI=1S/C16H11N3O2/c1-10-6-2-3-7-11(10)14-15-19(18-17-14)13-9-5-4-8-12(13)16(20)21-15/h2-9H,1H3
InChIKeyHCAXNPLLIKXMCN-UHFFFAOYSA-N
XLogP2.81
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one?
The IUPAC name of 3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one (CID 132607295) is 3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one.
What is the SMILES notation for 3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one?
The canonical SMILES for 3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one is Cc1ccccc1-c1nnn2c1oc(=O)c1ccccc12.
What is the InChIKey of 3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one?
The InChIKey is HCAXNPLLIKXMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-10-6-2-3-7-11(10)14-15-19(18-17-14)13-9-5-4-8-12(13)16(20)21-15/h2-9H,1H3.
What are the key properties of 3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one?
3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one has a molecular weight of 277.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)triazolo[1,5-a][3,1]benzoxazin-5-one is sourced from PubChem (CID 132607295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).