1-phenyl-5-thiophen-2-yltriazole

C12H9N3S — CID 121010770

IUPAC1-phenyl-5-thiophen-2-yltriazole
SMILESc1ccc(-n2nncc2-c2cccs2)cc1
InChIInChI=1S/C12H9N3S/c1-2-5-10(6-3-1)15-11(9-13-14-15)12-7-4-8-16-12/h1-9H
InChIKeyJXKFPCNBIYSNOJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.00
Rot. Bonds2

About 1-phenyl-5-thiophen-2-yltriazole

1-phenyl-5-thiophen-2-yltriazole (PubChem CID 121010770) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-phenyl-5-thiophen-2-yltriazole.

Molecular Properties

Compound Name1-phenyl-5-thiophen-2-yltriazole
PubChem CID121010770
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name1-phenyl-5-thiophen-2-yltriazole
SMILESc1ccc(-n2nncc2-c2cccs2)cc1
InChIInChI=1S/C12H9N3S/c1-2-5-10(6-3-1)15-11(9-13-14-15)12-7-4-8-16-12/h1-9H
InChIKeyJXKFPCNBIYSNOJ-UHFFFAOYSA-N
XLogP3.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(3-phenyltriazol-4-yl)triazole
CID 22215524
1-phenyl-5-thiophen-2-ylimidazole
CID 11413496
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
5-(2-bromophenyl)-1-phenyltriazole
CID 146164567
6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine
CID 106878720
[2-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689604
[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689803
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882
2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine
CID 102752773
4-fluoro-2-(3-phenyltriazol-4-yl)pyridine
CID 102824567
2-methyl-4-(3-phenyltriazol-4-yl)aniline
CID 114689600
2-(3-phenyltriazol-4-yl)ethanol
CID 24754561

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-thiophen-2-yltriazole?
The IUPAC name of 1-phenyl-5-thiophen-2-yltriazole (CID 121010770) is 1-phenyl-5-thiophen-2-yltriazole.
What is the SMILES notation for 1-phenyl-5-thiophen-2-yltriazole?
The canonical SMILES for 1-phenyl-5-thiophen-2-yltriazole is c1ccc(-n2nncc2-c2cccs2)cc1.
What is the InChIKey of 1-phenyl-5-thiophen-2-yltriazole?
The InChIKey is JXKFPCNBIYSNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-2-5-10(6-3-1)15-11(9-13-14-15)12-7-4-8-16-12/h1-9H.
What are the key properties of 1-phenyl-5-thiophen-2-yltriazole?
1-phenyl-5-thiophen-2-yltriazole has a molecular weight of 227.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-thiophen-2-yltriazole is sourced from PubChem (CID 121010770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).