4-phenyl-2H-triazole;thiophene

C12H11N3S — CID 174873348

IUPAC4-phenyl-2H-triazole;thiophene
SMILESc1ccc(-c2cn[nH]n2)cc1.c1ccsc1
InChIInChI=1S/C8H7N3.C4H4S/c1-2-4-7(5-3-1)8-6-9-11-10-8;1-2-4-5-3-1/h1-6H,(H,9,10,11);1-4H
InChIKeyFGZAHAYINGYNDT-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.22
Rot. Bonds1

About 4-phenyl-2H-triazole;thiophene

4-phenyl-2H-triazole;thiophene (PubChem CID 174873348) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-phenyl-2H-triazole;thiophene.

Molecular Properties

Compound Name4-phenyl-2H-triazole;thiophene
PubChem CID174873348
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name4-phenyl-2H-triazole;thiophene
SMILESc1ccc(-c2cn[nH]n2)cc1.c1ccsc1
InChIInChI=1S/C8H7N3.C4H4S/c1-2-4-7(5-3-1)8-6-9-11-10-8;1-2-4-5-3-1/h1-6H,(H,9,10,11);1-4H
InChIKeyFGZAHAYINGYNDT-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1,1'-biphenyl;sulfur dioxide;thiophene
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4,5-diphenyl-2H-triazole
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4-(3,4-dimethylphenyl)-2H-triazole
CID 134818557
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
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2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2H-triazole;thiophene?
The IUPAC name of 4-phenyl-2H-triazole;thiophene (CID 174873348) is 4-phenyl-2H-triazole;thiophene.
What is the SMILES notation for 4-phenyl-2H-triazole;thiophene?
The canonical SMILES for 4-phenyl-2H-triazole;thiophene is c1ccc(-c2cn[nH]n2)cc1.c1ccsc1.
What is the InChIKey of 4-phenyl-2H-triazole;thiophene?
The InChIKey is FGZAHAYINGYNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.C4H4S/c1-2-4-7(5-3-1)8-6-9-11-10-8;1-2-4-5-3-1/h1-6H,(H,9,10,11);1-4H.
What are the key properties of 4-phenyl-2H-triazole;thiophene?
4-phenyl-2H-triazole;thiophene has a molecular weight of 229.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2H-triazole;thiophene is sourced from PubChem (CID 174873348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).