1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole

C6H8N6 — CID 136636352

IUPAC1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole
SMILESCc1nc(-c2cnnn2C)n[nH]1
InChIInChI=1S/C6H8N6/c1-4-8-6(10-9-4)5-3-7-11-12(5)2/h3H,1-2H3,(H,8,9,10)
InChIKeyAZVYTJYUBCHBDZ-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.09
Rot. Bonds1

About 1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole

1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole (PubChem CID 136636352) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole.

Molecular Properties

Compound Name1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole
PubChem CID136636352
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole
SMILESCc1nc(-c2cnnn2C)n[nH]1
InChIInChI=1S/C6H8N6/c1-4-8-6(10-9-4)5-3-7-11-12(5)2/h3H,1-2H3,(H,8,9,10)
InChIKeyAZVYTJYUBCHBDZ-UHFFFAOYSA-N
XLogP-0.09
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole?
The IUPAC name of 1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole (CID 136636352) is 1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole.
What is the SMILES notation for 1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole?
The canonical SMILES for 1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole is Cc1nc(-c2cnnn2C)n[nH]1.
What is the InChIKey of 1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole?
The InChIKey is AZVYTJYUBCHBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-4-8-6(10-9-4)5-3-7-11-12(5)2/h3H,1-2H3,(H,8,9,10).
What are the key properties of 1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole?
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole has a molecular weight of 164.17 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole is sourced from PubChem (CID 136636352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).