3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine

C7H8N4S2 — CID 130979384

IUPAC3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCc1cccs1
InChIInChI=1S/C7H8N4S2/c8-11-5-9-10-7(11)13-4-6-2-1-3-12-6/h1-3,5H,4,8H2
InChIKeyHZKJDMIIFQIEAR-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.35
Rot. Bonds3

About 3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine

3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine (PubChem CID 130979384) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine
PubChem CID130979384
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCc1cccs1
InChIInChI=1S/C7H8N4S2/c8-11-5-9-10-7(11)13-4-6-2-1-3-12-6/h1-3,5H,4,8H2
InChIKeyHZKJDMIIFQIEAR-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 8942054
3-[[6-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 23660778
3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 3520280
3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine
CID 7730055
5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 4962191
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 110656482
1-(thiophen-2-ylmethylsulfanyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 718274
2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 63581836
2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole
CID 130628845
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 55213514
3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 741329
4-methyl-6-phenyl-3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazin-5-one
CID 35755702

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine (CID 130979384) is 3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine is Nn1cnnc1SCc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine?
The InChIKey is HZKJDMIIFQIEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c8-11-5-9-10-7(11)13-4-6-2-1-3-12-6/h1-3,5H,4,8H2.
What are the key properties of 3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine?
3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine has a molecular weight of 212.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 130979384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).