N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H18F3N5 — CID 133439544

IUPACN-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NC(CC2CCC2)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C18H18F3N5/c19-18(20,21)15-10-16(26-17(25-15)22-11-23-26)24-14(9-12-5-4-6-12)13-7-2-1-3-8-13/h1-3,7-8,10-12,14,24H,4-6,9H2
InChIKeyLTETXLAEUDASES-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.49
Rot. Bonds5

About N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133439544) has the molecular formula C18H18F3N5 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133439544
Molecular FormulaC18H18F3N5
Molecular Weight361.37 g/mol
Exact Mass361.15
IUPAC NameN-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NC(CC2CCC2)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C18H18F3N5/c19-18(20,21)15-10-16(26-17(25-15)22-11-23-26)24-14(9-12-5-4-6-12)13-7-2-1-3-8-13/h1-3,7-8,10-12,14,24H,4-6,9H2
InChIKeyLTETXLAEUDASES-UHFFFAOYSA-N
XLogP4.49
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133439544) is N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1cc(NC(CC2CCC2)c2ccccc2)n2ncnc2n1.
What is the InChIKey of N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LTETXLAEUDASES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5/c19-18(20,21)15-10-16(26-17(25-15)22-11-23-26)24-14(9-12-5-4-6-12)13-7-2-1-3-8-13/h1-3,7-8,10-12,14,24H,4-6,9H2.
What are the key properties of N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 361.37 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133439544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).