1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole

C13H15N5S — CID 56722618

IUPAC1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole
SMILESCCC(c1ncnn1C)n1ccnc1-c1ccsc1
InChIInChI=1S/C13H15N5S/c1-3-11(13-15-9-16-17(13)2)18-6-5-14-12(18)10-4-7-19-8-10/h4-9,11H,3H2,1-2H3
InChIKeyVPCUOLOJABODNW-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.74
Rot. Bonds4

About 1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole

1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole (PubChem CID 56722618) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole
PubChem CID56722618
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole
SMILESCCC(c1ncnn1C)n1ccnc1-c1ccsc1
InChIInChI=1S/C13H15N5S/c1-3-11(13-15-9-16-17(13)2)18-6-5-14-12(18)10-4-7-19-8-10/h4-9,11H,3H2,1-2H3
InChIKeyVPCUOLOJABODNW-UHFFFAOYSA-N
XLogP2.74
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole?
The IUPAC name of 1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole (CID 56722618) is 1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole.
What is the SMILES notation for 1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole?
The canonical SMILES for 1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole is CCC(c1ncnn1C)n1ccnc1-c1ccsc1.
What is the InChIKey of 1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole?
The InChIKey is VPCUOLOJABODNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-3-11(13-15-9-16-17(13)2)18-6-5-14-12(18)10-4-7-19-8-10/h4-9,11H,3H2,1-2H3.
What are the key properties of 1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole?
1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole has a molecular weight of 273.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole is sourced from PubChem (CID 56722618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).