8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C12H8F3N5 — CID 70654559

IUPAC8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESNc1nc2c(-c3cccc(C(F)(F)F)c3)cncn2n1
InChIInChI=1S/C12H8F3N5/c13-12(14,15)8-3-1-2-7(4-8)9-5-17-6-20-10(9)18-11(16)19-20/h1-6H,(H2,16,19)
InChIKeyXSOHQDQCIYXHFQ-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.39
Rot. Bonds1

About 8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 70654559) has the molecular formula C12H8F3N5 and a molecular weight of 279.23 g/mol. Its IUPAC name is 8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID70654559
Molecular FormulaC12H8F3N5
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESNc1nc2c(-c3cccc(C(F)(F)F)c3)cncn2n1
InChIInChI=1S/C12H8F3N5/c13-12(14,15)8-3-1-2-7(4-8)9-5-17-6-20-10(9)18-11(16)19-20/h1-6H,(H2,16,19)
InChIKeyXSOHQDQCIYXHFQ-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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Related Compounds

7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141385503
5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 59662442
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103260
N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916076
3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine
CID 91219654
8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 63616784
[5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
CID 23459944
8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 154311532
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
6-bromo-8-[3-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 155232207

Frequently Asked Questions

What is the IUPAC name of 8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 70654559) is 8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is Nc1nc2c(-c3cccc(C(F)(F)F)c3)cncn2n1.
What is the InChIKey of 8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is XSOHQDQCIYXHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5/c13-12(14,15)8-3-1-2-7(4-8)9-5-17-6-20-10(9)18-11(16)19-20/h1-6H,(H2,16,19).
What are the key properties of 8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-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 8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 70654559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).