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

C6H8N6 — CID 720075

IUPAC5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole
SMILESCc1nc(-c2n[nH]c(C)n2)n[nH]1
InChIInChI=1S/C6H8N6/c1-3-7-5(11-9-3)6-8-4(2)10-12-6/h1-2H3,(H,7,9,11)(H,8,10,12)
InChIKeyNQXJMLFCHKPLMF-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.21
Rot. Bonds1

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

5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole (PubChem CID 720075) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole
PubChem CID720075
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole
SMILESCc1nc(-c2n[nH]c(C)n2)n[nH]1
InChIInChI=1S/C6H8N6/c1-3-7-5(11-9-3)6-8-4(2)10-12-6/h1-2H3,(H,7,9,11)(H,8,10,12)
InChIKeyNQXJMLFCHKPLMF-UHFFFAOYSA-N
XLogP0.21
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole (CID 720075) is 5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole is Cc1nc(-c2n[nH]c(C)n2)n[nH]1.
What is the InChIKey of 5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole?
The InChIKey is NQXJMLFCHKPLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-3-7-5(11-9-3)6-8-4(2)10-12-6/h1-2H3,(H,7,9,11)(H,8,10,12).
What are the key properties of 5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole?
5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole has a molecular weight of 164.17 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 720075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).