1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole

C11H11N5S — CID 103931151

IUPAC1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole
SMILESCn1cc(Cn2ccnc2-c2cccs2)nn1
InChIInChI=1S/C11H11N5S/c1-15-7-9(13-14-15)8-16-5-4-12-11(16)10-3-2-6-17-10/h2-7H,8H2,1H3
InChIKeyAGDDFVIAQYKHAG-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.79
Rot. Bonds3

About 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole

1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole (PubChem CID 103931151) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole
PubChem CID103931151
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole
SMILESCn1cc(Cn2ccnc2-c2cccs2)nn1
InChIInChI=1S/C11H11N5S/c1-15-7-9(13-14-15)8-16-5-4-12-11(16)10-3-2-6-17-10/h2-7H,8H2,1H3
InChIKeyAGDDFVIAQYKHAG-UHFFFAOYSA-N
XLogP1.79
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole?
The IUPAC name of 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole (CID 103931151) is 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole?
The canonical SMILES for 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole is Cn1cc(Cn2ccnc2-c2cccs2)nn1.
What is the InChIKey of 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole?
The InChIKey is AGDDFVIAQYKHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-15-7-9(13-14-15)8-16-5-4-12-11(16)10-3-2-6-17-10/h2-7H,8H2,1H3.
What are the key properties of 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole?
1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole has a molecular weight of 245.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole is sourced from PubChem (CID 103931151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).