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

C12H8F3N5 — CID 69361247

IUPAC6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccccc2)c(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C12H8F3N5/c13-12(14,15)9-8(7-4-2-1-3-5-7)10(16)20-11(19-9)17-6-18-20/h1-6H,16H2
InChIKeyKKIYPWIYNBLHEG-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.39
Rot. Bonds1

About 6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 69361247) has the molecular formula C12H8F3N5 and a molecular weight of 279.23 g/mol. Its IUPAC name is 6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID69361247
Molecular FormulaC12H8F3N5
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccccc2)c(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C12H8F3N5/c13-12(14,15)9-8(7-4-2-1-3-5-7)10(16)20-11(19-9)17-6-18-20/h1-6H,16H2
InChIKeyKKIYPWIYNBLHEG-UHFFFAOYSA-N
XLogP2.39
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 69361247) is 6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Nc1c(-c2ccccc2)c(C(F)(F)F)nc2ncnn12.
What is the InChIKey of 6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KKIYPWIYNBLHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5/c13-12(14,15)9-8(7-4-2-1-3-5-7)10(16)20-11(19-9)17-6-18-20/h1-6H,16H2.
What are the key properties of 6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.23 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 69361247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).