1-(thiophen-3-ylmethyl)triazol-4-amine

C7H8N4S — CID 79529453

IUPAC1-(thiophen-3-ylmethyl)triazol-4-amine
SMILESNc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C7H8N4S/c8-7-4-11(10-9-7)3-6-1-2-12-5-6/h1-2,4-5H,3,8H2
InChIKeyHYNXTWKPIROJSH-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.97
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)triazol-4-amine

1-(thiophen-3-ylmethyl)triazol-4-amine (PubChem CID 79529453) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)triazol-4-amine
PubChem CID79529453
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name1-(thiophen-3-ylmethyl)triazol-4-amine
SMILESNc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C7H8N4S/c8-7-4-11(10-9-7)3-6-1-2-12-5-6/h1-2,4-5H,3,8H2
InChIKeyHYNXTWKPIROJSH-UHFFFAOYSA-N
XLogP0.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Thiophen-3-ylmethyl)triazole
CID 68517790
N-(1-ethyl-1H-1,2,3-triazol-4-yl)-N'-(3-thienylmethyl)urea
CID 72922013
1-[(5-Bromothiophen-3-yl)methyl]triazol-4-amine
CID 79530509
5-Methyl-1-(thiophen-3-ylmethyl)triazol-4-amine
CID 79542016
1-(Thiophen-2-ylmethyl)-1H-1,2,3-triazol-4-amine
CID 79542197
1-[2-(Thiophen-3-yl)ethyl]-1H-1,2,3-triazol-4-amine
CID 79542397
N-(thiophen-3-ylmethyl)-2-(triazol-1-yl)ethanamine
CID 104099124
N-(thiophen-3-ylmethyl)-4-(triazol-1-yl)butan-1-amine
CID 104099155
N-(thiophen-3-ylmethyl)-3-(triazol-1-yl)propan-1-amine
CID 104443222
1-(1-(thiophen-3-ylmethyl)azetidin-3-yl)-1H-1,2,3-triazole
CID 121183795
1-[(5-Methylthiophen-3-yl)methyl]-1H-1,2,3-triazol-4-amine
CID 126981740
1-[(5-Chlorothiophen-3-yl)methyl]-1H-1,2,3-triazol-4-amine
CID 131047043

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)triazol-4-amine?
The IUPAC name of 1-(thiophen-3-ylmethyl)triazol-4-amine (CID 79529453) is 1-(thiophen-3-ylmethyl)triazol-4-amine.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)triazol-4-amine?
The canonical SMILES for 1-(thiophen-3-ylmethyl)triazol-4-amine is Nc1cn(Cc2ccsc2)nn1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)triazol-4-amine?
The InChIKey is HYNXTWKPIROJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-7-4-11(10-9-7)3-6-1-2-12-5-6/h1-2,4-5H,3,8H2.
What are the key properties of 1-(thiophen-3-ylmethyl)triazol-4-amine?
1-(thiophen-3-ylmethyl)triazol-4-amine has a molecular weight of 180.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)triazol-4-amine is sourced from PubChem (CID 79529453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).