5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C12H7ClF3N5 — CID 974685

IUPAC5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C12H7ClF3N5/c13-7-3-1-6(2-4-7)8-5-9(12(14,15)16)21-11(18-8)19-10(17)20-21/h1-5H,(H2,17,20)
InChIKeyXYUUNDLJMWEDFE-UHFFFAOYSA-N
MW313.67 g/mol
LogP3.05
Rot. Bonds1

About 5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 974685) has the molecular formula C12H7ClF3N5 and a molecular weight of 313.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID974685
Molecular FormulaC12H7ClF3N5
Molecular Weight313.67 g/mol
Exact Mass313.03
IUPAC Name5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C12H7ClF3N5/c13-7-3-1-6(2-4-7)8-5-9(12(14,15)16)21-11(18-8)19-10(17)20-21/h1-5H,(H2,17,20)
InChIKeyXYUUNDLJMWEDFE-UHFFFAOYSA-N
XLogP3.05
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.67
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 974685) is 5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is XYUUNDLJMWEDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N5/c13-7-3-1-6(2-4-7)8-5-9(12(14,15)16)21-11(18-8)19-10(17)20-21/h1-5H,(H2,17,20).
What are the key properties of 5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 313.67 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 974685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).