7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C11H9N5O — CID 3054503

IUPAC7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(-c2cnn3cnnc3n2)cc1
InChIInChI=1S/C11H9N5O/c1-17-9-4-2-8(3-5-9)10-6-13-16-7-12-15-11(16)14-10/h2-7H,1H3
InChIKeyXFIVBCBTECXSMA-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.19
Rot. Bonds2

About 7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine

7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 3054503) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID3054503
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(-c2cnn3cnnc3n2)cc1
InChIInChI=1S/C11H9N5O/c1-17-9-4-2-8(3-5-9)10-6-13-16-7-12-15-11(16)14-10/h2-7H,1H3
InChIKeyXFIVBCBTECXSMA-UHFFFAOYSA-N
XLogP1.19
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 3054503) is 7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is COc1ccc(-c2cnn3cnnc3n2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is XFIVBCBTECXSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-17-9-4-2-8(3-5-9)10-6-13-16-7-12-15-11(16)14-10/h2-7H,1H3.
What are the key properties of 7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 227.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 3054503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).