2-methyl-4-(triazol-1-ylmethyl)triazole

C6H8N6 — CID 130977195

IUPAC2-methyl-4-(triazol-1-ylmethyl)triazole
SMILESCn1ncc(Cn2ccnn2)n1
InChIInChI=1S/C6H8N6/c1-11-8-4-6(9-11)5-12-3-2-7-10-12/h2-4H,5H2,1H3
InChIKeyARHQWVGVHVRPJT-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.55
Rot. Bonds2

About 2-methyl-4-(triazol-1-ylmethyl)triazole

2-methyl-4-(triazol-1-ylmethyl)triazole (PubChem CID 130977195) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-methyl-4-(triazol-1-ylmethyl)triazole.

Molecular Properties

Compound Name2-methyl-4-(triazol-1-ylmethyl)triazole
PubChem CID130977195
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name2-methyl-4-(triazol-1-ylmethyl)triazole
SMILESCn1ncc(Cn2ccnn2)n1
InChIInChI=1S/C6H8N6/c1-11-8-4-6(9-11)5-12-3-2-7-10-12/h2-4H,5H2,1H3
InChIKeyARHQWVGVHVRPJT-UHFFFAOYSA-N
XLogP-0.55
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(triazol-1-ylmethyl)triazole?
The IUPAC name of 2-methyl-4-(triazol-1-ylmethyl)triazole (CID 130977195) is 2-methyl-4-(triazol-1-ylmethyl)triazole.
What is the SMILES notation for 2-methyl-4-(triazol-1-ylmethyl)triazole?
The canonical SMILES for 2-methyl-4-(triazol-1-ylmethyl)triazole is Cn1ncc(Cn2ccnn2)n1.
What is the InChIKey of 2-methyl-4-(triazol-1-ylmethyl)triazole?
The InChIKey is ARHQWVGVHVRPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-11-8-4-6(9-11)5-12-3-2-7-10-12/h2-4H,5H2,1H3.
What are the key properties of 2-methyl-4-(triazol-1-ylmethyl)triazole?
2-methyl-4-(triazol-1-ylmethyl)triazole has a molecular weight of 164.17 g/mol, XLogP of -0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(triazol-1-ylmethyl)triazole is sourced from PubChem (CID 130977195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).