2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H12F3N5 — CID 3235793

IUPAC2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(C)nc2n1
InChIInChI=1S/C14H12F3N5/c1-8-6-12(22-13(18-8)19-9(2)21-22)20-11-5-3-4-10(7-11)14(15,16)17/h3-7,20H,1-2H3
InChIKeyYJTBZAIQVCAIKI-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.50
Rot. Bonds2

About 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3235793) has the molecular formula C14H12F3N5 and a molecular weight of 307.28 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID3235793
Molecular FormulaC14H12F3N5
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(C)nc2n1
InChIInChI=1S/C14H12F3N5/c1-8-6-12(22-13(18-8)19-9(2)21-22)20-11-5-3-4-10(7-11)14(15,16)17/h3-7,20H,1-2H3
InChIKeyYJTBZAIQVCAIKI-UHFFFAOYSA-N
XLogP3.50
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 3235793) is 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(C)nc2n1.
What is the InChIKey of 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YJTBZAIQVCAIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5/c1-8-6-12(22-13(18-8)19-9(2)21-22)20-11-5-3-4-10(7-11)14(15,16)17/h3-7,20H,1-2H3.
What are the key properties of 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 307.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3235793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).