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

C13H10F3N5 — CID 14685672

IUPAC7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCc1cc2nc(N)nn2c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H10F3N5/c1-7-6-10-19-12(17)20-21(10)11(18-7)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H2,17,20)
InChIKeyIYDPLYPXYKMMLA-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.70
Rot. Bonds1

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

7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 14685672) has the molecular formula C13H10F3N5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID14685672
Molecular FormulaC13H10F3N5
Molecular Weight293.25 g/mol
Exact Mass293.09
IUPAC Name7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCc1cc2nc(N)nn2c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H10F3N5/c1-7-6-10-19-12(17)20-21(10)11(18-7)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H2,17,20)
InChIKeyIYDPLYPXYKMMLA-UHFFFAOYSA-N
XLogP2.70
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 14685672) is 7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is Cc1cc2nc(N)nn2c(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is IYDPLYPXYKMMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5/c1-7-6-10-19-12(17)20-21(10)11(18-7)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H2,17,20).
What are the key properties of 7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 293.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 14685672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).