2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one

C11H9N5O — CID 135746880

IUPAC2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one
SMILESCc1nc2[nH]c(=O)c(-c3ccccc3)nn2n1
InChIInChI=1S/C11H9N5O/c1-7-12-11-13-10(17)9(15-16(11)14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,14,17)
InChIKeyQVJNWJHOLZXWRL-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.79
Rot. Bonds1

About 2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one

2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one (PubChem CID 135746880) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one
PubChem CID135746880
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one
SMILESCc1nc2[nH]c(=O)c(-c3ccccc3)nn2n1
InChIInChI=1S/C11H9N5O/c1-7-12-11-13-10(17)9(15-16(11)14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,14,17)
InChIKeyQVJNWJHOLZXWRL-UHFFFAOYSA-N
XLogP0.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one?
The IUPAC name of 2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one (CID 135746880) is 2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one.
What is the SMILES notation for 2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one?
The canonical SMILES for 2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one is Cc1nc2[nH]c(=O)c(-c3ccccc3)nn2n1.
What is the InChIKey of 2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one?
The InChIKey is QVJNWJHOLZXWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-12-11-13-10(17)9(15-16(11)14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,14,17).
What are the key properties of 2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one?
2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one has a molecular weight of 227.23 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-8H-[1,2,4]triazolo[1,5-b][1,2,4]triazin-7-one is sourced from PubChem (CID 135746880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).