5-thiophen-2-yl-2H-triazol-4-amine

C6H6N4S — CID 54057272

IUPAC5-thiophen-2-yl-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1cccs1
InChIInChI=1S/C6H6N4S/c7-6-5(8-10-9-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
InChIKeyLXDBKRKSZCTKPO-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.12
Rot. Bonds1

About 5-thiophen-2-yl-2H-triazol-4-amine

5-thiophen-2-yl-2H-triazol-4-amine (PubChem CID 54057272) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 5-thiophen-2-yl-2H-triazol-4-amine.

Molecular Properties

Compound Name5-thiophen-2-yl-2H-triazol-4-amine
PubChem CID54057272
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name5-thiophen-2-yl-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1cccs1
InChIInChI=1S/C6H6N4S/c7-6-5(8-10-9-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
InChIKeyLXDBKRKSZCTKPO-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-thiophen-2-yl-2H-triazole-4-carbonitrile
CID 6415535
Bisthiophenyltriazole
CID 21910745
Pentylthiophenyltriazole
CID 129832183
4-Fluoro-3-(thiophen-2-YL)-1H-pyrazol-5-amine
CID 46910467
Sbb002764
CID 1415511
5-(5-ethylthiophen-2-yl)-N-methyl-2H-triazol-4-amine
CID 170147573
5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine
CID 170147719
5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine
CID 170148084
5-[5-(4-octylcyclohexa-2,4-dien-1-yl)thiophen-2-yl]-2H-triazol-4-amine
CID 170148087
5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine
CID 170148109
5-[5-[(E)-3-amino-4-ethenyliminobut-2-enyl]thiophen-2-yl]-2H-triazol-4-amine
CID 170148140
1,2,5-Thiadiazol-3-amine, 4-(2-thienyl)-
CID 11137787

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-2H-triazol-4-amine?
The IUPAC name of 5-thiophen-2-yl-2H-triazol-4-amine (CID 54057272) is 5-thiophen-2-yl-2H-triazol-4-amine.
What is the SMILES notation for 5-thiophen-2-yl-2H-triazol-4-amine?
The canonical SMILES for 5-thiophen-2-yl-2H-triazol-4-amine is Nc1n[nH]nc1-c1cccs1.
What is the InChIKey of 5-thiophen-2-yl-2H-triazol-4-amine?
The InChIKey is LXDBKRKSZCTKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c7-6-5(8-10-9-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10).
What are the key properties of 5-thiophen-2-yl-2H-triazol-4-amine?
5-thiophen-2-yl-2H-triazol-4-amine has a molecular weight of 166.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-2H-triazol-4-amine is sourced from PubChem (CID 54057272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).