3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole

C11H15N3S — CID 65238773

IUPAC3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(-c2cc(C)c(C)s2)n[nH]1
InChIInChI=1S/C11H15N3S/c1-4-5-10-12-11(14-13-10)9-6-7(2)8(3)15-9/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyAAAVGYLHFLZNQA-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.10
Rot. Bonds3

About 3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole

3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole (PubChem CID 65238773) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole
PubChem CID65238773
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(-c2cc(C)c(C)s2)n[nH]1
InChIInChI=1S/C11H15N3S/c1-4-5-10-12-11(14-13-10)9-6-7(2)8(3)15-9/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyAAAVGYLHFLZNQA-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole?
The IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole (CID 65238773) is 3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole is CCCc1nc(-c2cc(C)c(C)s2)n[nH]1.
What is the InChIKey of 3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole?
The InChIKey is AAAVGYLHFLZNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-4-5-10-12-11(14-13-10)9-6-7(2)8(3)15-9/h6H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole?
3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole has a molecular weight of 221.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylthiophen-2-yl)-5-propyl-1H-1,2,4-triazole is sourced from PubChem (CID 65238773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).