5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine

C13H12N4S — CID 170148084

IUPAC5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine
SMILESCc1ccc(-c2ccc(-c3n[nH]nc3N)s2)cc1
InChIInChI=1S/C13H12N4S/c1-8-2-4-9(5-3-8)10-6-7-11(18-10)12-13(14)16-17-15-12/h2-7H,1H3,(H3,14,15,16,17)
InChIKeyBRYOCWPLHPMGOK-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.09
Rot. Bonds2

About 5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine

5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine (PubChem CID 170148084) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine
PubChem CID170148084
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine
SMILESCc1ccc(-c2ccc(-c3n[nH]nc3N)s2)cc1
InChIInChI=1S/C13H12N4S/c1-8-2-4-9(5-3-8)10-6-7-11(18-10)12-13(14)16-17-15-12/h2-7H,1H3,(H3,14,15,16,17)
InChIKeyBRYOCWPLHPMGOK-UHFFFAOYSA-N
XLogP3.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine?
The IUPAC name of 5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine (CID 170148084) is 5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine?
The canonical SMILES for 5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine is Cc1ccc(-c2ccc(-c3n[nH]nc3N)s2)cc1.
What is the InChIKey of 5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine?
The InChIKey is BRYOCWPLHPMGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-8-2-4-9(5-3-8)10-6-7-11(18-10)12-13(14)16-17-15-12/h2-7H,1H3,(H3,14,15,16,17).
What are the key properties of 5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine?
5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine has a molecular weight of 256.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methylphenyl)thiophen-2-yl]-2H-triazol-4-amine is sourced from PubChem (CID 170148084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).