5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine

C12H10N4S — CID 170147719

IUPAC5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C12H10N4S/c13-12-11(14-16-15-12)9-3-1-8(2-4-9)10-5-6-17-7-10/h1-7H,(H3,13,14,15,16)
InChIKeyHRWSIWJOLGQMGW-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.78
Rot. Bonds2

About 5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine

5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine (PubChem CID 170147719) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine.

Molecular Properties

Compound Name5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine
PubChem CID170147719
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C12H10N4S/c13-12-11(14-16-15-12)9-3-1-8(2-4-9)10-5-6-17-7-10/h1-7H,(H3,13,14,15,16)
InChIKeyHRWSIWJOLGQMGW-UHFFFAOYSA-N
XLogP2.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine?
The IUPAC name of 5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine (CID 170147719) is 5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine.
What is the SMILES notation for 5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine?
The canonical SMILES for 5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine is Nc1n[nH]nc1-c1ccc(-c2ccsc2)cc1.
What is the InChIKey of 5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine?
The InChIKey is HRWSIWJOLGQMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-12-11(14-16-15-12)9-3-1-8(2-4-9)10-5-6-17-7-10/h1-7H,(H3,13,14,15,16).
What are the key properties of 5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine?
5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine has a molecular weight of 242.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-thiophen-3-ylphenyl)-2H-triazol-4-amine is sourced from PubChem (CID 170147719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).