1-(thiophen-3-ylmethyl)triazole

C7H7N3S — CID 68517790

IUPAC1-(thiophen-3-ylmethyl)triazole
SMILESc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C7H7N3S/c1-4-11-6-7(1)5-10-3-2-8-9-10/h1-4,6H,5H2
InChIKeyTZPKFEGSXISIQM-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.39
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)triazole

1-(thiophen-3-ylmethyl)triazole (PubChem CID 68517790) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)triazole.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)triazole
PubChem CID68517790
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name1-(thiophen-3-ylmethyl)triazole
SMILESc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C7H7N3S/c1-4-11-6-7(1)5-10-3-2-8-9-10/h1-4,6H,5H2
InChIKeyTZPKFEGSXISIQM-UHFFFAOYSA-N
XLogP1.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Thiophen-2-yltriazole
CID 12454080
1-(4-Methylthiophen-2-yl)triazole
CID 20373982
2-(Thiophen-3-ylmethyl)triazole
CID 53759462
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62053952
4-(Chloromethyl)-1-(thiophen-3-ylmethyl)triazole
CID 62399703
4-(Bromomethyl)-1-(thiophen-3-ylmethyl)triazole
CID 62402168
1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-amine
CID 79529453
1-[(5-Bromothiophen-3-yl)methyl]triazole
CID 86816527
N-[(5-bromothiophen-3-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 104098941
N-(thiophen-3-ylmethyl)-2-(triazol-1-yl)ethanamine
CID 104099124
N-(thiophen-3-ylmethyl)-4-(triazol-1-yl)butan-1-amine
CID 104099155

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)triazole?
The IUPAC name of 1-(thiophen-3-ylmethyl)triazole (CID 68517790) is 1-(thiophen-3-ylmethyl)triazole.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)triazole?
The canonical SMILES for 1-(thiophen-3-ylmethyl)triazole is c1cn(Cc2ccsc2)nn1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)triazole?
The InChIKey is TZPKFEGSXISIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-4-11-6-7(1)5-10-3-2-8-9-10/h1-4,6H,5H2.
What are the key properties of 1-(thiophen-3-ylmethyl)triazole?
1-(thiophen-3-ylmethyl)triazole has a molecular weight of 165.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)triazole is sourced from PubChem (CID 68517790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).