5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H12F3N5 — CID 51347245

IUPAC5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(CC(F)(F)F)cc2)n2ncnc2n1
InChIInChI=1S/C14H12F3N5/c1-9-6-12(22-13(20-9)18-8-19-22)21-11-4-2-10(3-5-11)7-14(15,16)17/h2-6,8,21H,7H2,1H3
InChIKeyXBIVLGNMWGHHLL-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.28
Rot. Bonds3

About 5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 51347245) has the molecular formula C14H12F3N5 and a molecular weight of 307.28 g/mol. Its IUPAC name is 5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID51347245
Molecular FormulaC14H12F3N5
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(CC(F)(F)F)cc2)n2ncnc2n1
InChIInChI=1S/C14H12F3N5/c1-9-6-12(22-13(20-9)18-8-19-22)21-11-4-2-10(3-5-11)7-14(15,16)17/h2-6,8,21H,7H2,1H3
InChIKeyXBIVLGNMWGHHLL-UHFFFAOYSA-N
XLogP3.28
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 51347245) is 5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(CC(F)(F)F)cc2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XBIVLGNMWGHHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5/c1-9-6-12(22-13(20-9)18-8-19-22)21-11-4-2-10(3-5-11)7-14(15,16)17/h2-6,8,21H,7H2,1H3.
What are the key properties of 5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 307.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 51347245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).