5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H21F3N6 — CID 133439798

IUPAC5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccc2N2CCCCC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C19H21F3N6/c1-13-11-16(28-18(24-13)25-17(26-28)19(20,21)22)23-12-14-7-3-4-8-15(14)27-9-5-2-6-10-27/h3-4,7-8,11,23H,2,5-6,9-10,12H2,1H3
InChIKeyAQBDLKUMUPYJEB-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.05
Rot. Bonds4

About 5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133439798) has the molecular formula C19H21F3N6 and a molecular weight of 390.41 g/mol. Its IUPAC name is 5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133439798
Molecular FormulaC19H21F3N6
Molecular Weight390.41 g/mol
Exact Mass390.18
IUPAC Name5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccc2N2CCCCC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C19H21F3N6/c1-13-11-16(28-18(24-13)25-17(26-28)19(20,21)22)23-12-14-7-3-4-8-15(14)27-9-5-2-6-10-27/h3-4,7-8,11,23H,2,5-6,9-10,12H2,1H3
InChIKeyAQBDLKUMUPYJEB-UHFFFAOYSA-N
XLogP4.05
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133277205
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 55590946
N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279688
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287054
5-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 127265997
N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 49430311
(2S)-2-N-benzyl-3,3,3-trifluoro-1-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propane-1,2-diamine
CID 124721244
5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453467
5-methyl-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 97340074
5-methyl-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133380513
5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133332136
5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43764091

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133439798) is 5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccccc2N2CCCCC2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AQBDLKUMUPYJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6/c1-13-11-16(28-18(24-13)25-17(26-28)19(20,21)22)23-12-14-7-3-4-8-15(14)27-9-5-2-6-10-27/h3-4,7-8,11,23H,2,5-6,9-10,12H2,1H3.
What are the key properties of 5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 390.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133439798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).