3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole

C10H9N5 — CID 607944

IUPAC3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
SMILESCc1nnc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C10H9N5/c1-7-12-13-10-11-9(14-15(7)10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKeyIXRGRQWSMAOMRV-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.43
Rot. Bonds1

About 3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole

3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole (PubChem CID 607944) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole.

Molecular Properties

Compound Name3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
PubChem CID607944
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
SMILESCc1nnc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C10H9N5/c1-7-12-13-10-11-9(14-15(7)10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKeyIXRGRQWSMAOMRV-UHFFFAOYSA-N
XLogP1.43
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole?
The IUPAC name of 3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole (CID 607944) is 3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole.
What is the SMILES notation for 3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole?
The canonical SMILES for 3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole is Cc1nnc2nc(-c3ccccc3)[nH]n12.
What is the InChIKey of 3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole?
The InChIKey is IXRGRQWSMAOMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-7-12-13-10-11-9(14-15(7)10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14).
What are the key properties of 3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole?
3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole has a molecular weight of 199.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole is sourced from PubChem (CID 607944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).