3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C15H11N7 — CID 3070767

IUPAC3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1nnc2nc(-c3ccccn3)c(-c3ccccn3)nn12
InChIInChI=1S/C15H11N7/c1-10-19-20-15-18-13(11-6-2-4-8-16-11)14(21-22(10)15)12-7-3-5-9-17-12/h2-9H,1H3
InChIKeyRJADFHMYUZMFRR-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.95
Rot. Bonds2

About 3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 3070767) has the molecular formula C15H11N7 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID3070767
Molecular FormulaC15H11N7
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC Name3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1nnc2nc(-c3ccccn3)c(-c3ccccn3)nn12
InChIInChI=1S/C15H11N7/c1-10-19-20-15-18-13(11-6-2-4-8-16-11)14(21-22(10)15)12-7-3-5-9-17-12/h2-9H,1H3
InChIKeyRJADFHMYUZMFRR-UHFFFAOYSA-N
XLogP1.95
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 3070767) is 3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Cc1nnc2nc(-c3ccccn3)c(-c3ccccn3)nn12.
What is the InChIKey of 3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is RJADFHMYUZMFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7/c1-10-19-20-15-18-13(11-6-2-4-8-16-11)14(21-22(10)15)12-7-3-5-9-17-12/h2-9H,1H3.
What are the key properties of 3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 289.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 3070767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).