1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole

C9H10N8 — CID 58947494

IUPAC1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole
SMILESCn1cc(-c2nccn2-c2nncn2C)nn1
InChIInChI=1S/C9H10N8/c1-15-6-11-13-9(15)17-4-3-10-8(17)7-5-16(2)14-12-7/h3-6H,1-2H3
InChIKeyAERLDAMFLGCNFP-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.20
Rot. Bonds2

About 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole

1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole (PubChem CID 58947494) has the molecular formula C9H10N8 and a molecular weight of 230.24 g/mol. Its IUPAC name is 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole.

Molecular Properties

Compound Name1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole
PubChem CID58947494
Molecular FormulaC9H10N8
Molecular Weight230.24 g/mol
Exact Mass230.10
IUPAC Name1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole
SMILESCn1cc(-c2nccn2-c2nncn2C)nn1
InChIInChI=1S/C9H10N8/c1-15-6-11-13-9(15)17-4-3-10-8(17)7-5-16(2)14-12-7/h3-6H,1-2H3
InChIKeyAERLDAMFLGCNFP-UHFFFAOYSA-N
XLogP-0.20
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole?
The IUPAC name of 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole (CID 58947494) is 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole.
What is the SMILES notation for 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole?
The canonical SMILES for 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole is Cn1cc(-c2nccn2-c2nncn2C)nn1.
What is the InChIKey of 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole?
The InChIKey is AERLDAMFLGCNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N8/c1-15-6-11-13-9(15)17-4-3-10-8(17)7-5-16(2)14-12-7/h3-6H,1-2H3.
What are the key properties of 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole?
1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole has a molecular weight of 230.24 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole is sourced from PubChem (CID 58947494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).