1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)

C16H28N8 — CID 158999651

IUPAC1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)
SMILESCc1cn(C)c(C)n1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1
InChIInChI=1S/C6H10N2.2C5H9N3/c1-5-4-8(3)6(2)7-5;2*1-4-6-5(2)8(3)7-4/h4H,1-3H3;2*1-3H3
InChIKeyJRELZKBTGZLNOR-UHFFFAOYSA-N
MW332.46 g/mol
LogP1.90
Rot. Bonds

About 1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)

1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole) (PubChem CID 158999651) has the molecular formula C16H28N8 and a molecular weight of 332.46 g/mol. Its IUPAC name is 1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole).

Molecular Properties

Compound Name1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)
PubChem CID158999651
Molecular FormulaC16H28N8
Molecular Weight332.46 g/mol
Exact Mass332.24
IUPAC Name1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)
SMILESCc1cn(C)c(C)n1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1
InChIInChI=1S/C6H10N2.2C5H9N3/c1-5-4-8(3)6(2)7-5;2*1-4-6-5(2)8(3)7-4/h4H,1-3H3;2*1-3H3
InChIKeyJRELZKBTGZLNOR-UHFFFAOYSA-N
XLogP1.90
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)?
The IUPAC name of 1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole) (CID 158999651) is 1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole).
What is the SMILES notation for 1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)?
The canonical SMILES for 1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole) is Cc1cn(C)c(C)n1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.
What is the InChIKey of 1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)?
The InChIKey is JRELZKBTGZLNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.2C5H9N3/c1-5-4-8(3)6(2)7-5;2*1-4-6-5(2)8(3)7-4/h4H,1-3H3;2*1-3H3.
What are the key properties of 1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)?
1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole) has a molecular weight of 332.46 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole) is sourced from PubChem (CID 158999651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).