N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H21F3N6 — CID 133292233

IUPACN-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCN(C3CCCC3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C16H21F3N6/c1-10-8-13(25-15(20-10)22-14(23-25)16(17,18)19)21-11-6-7-24(9-11)12-4-2-3-5-12/h8,11-12,21H,2-7,9H2,1H3
InChIKeyRGZJMOVQFKQMRI-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.88
Rot. Bonds3

About N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133292233) has the molecular formula C16H21F3N6 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133292233
Molecular FormulaC16H21F3N6
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC NameN-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCN(C3CCCC3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C16H21F3N6/c1-10-8-13(25-15(20-10)22-14(23-25)16(17,18)19)21-11-6-7-24(9-11)12-4-2-3-5-12/h8,11-12,21H,2-7,9H2,1H3
InChIKeyRGZJMOVQFKQMRI-UHFFFAOYSA-N
XLogP2.88
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366729
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133357128
N-(1-cyclohexylpiperidin-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133296233
trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine
CID 95636460
N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154837373
(3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one
CID 97209299
N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine
CID 133381228
5-methyl-N-[1-(oxan-4-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133366229
7-cyclohexylsulfanyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 78857899
N-(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162671999
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
7-[(1R,6S)-2-azabicyclo[4.1.0]heptan-2-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 125419600

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133292233) is N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCN(C3CCCC3)C2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RGZJMOVQFKQMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6/c1-10-8-13(25-15(20-10)22-14(23-25)16(17,18)19)21-11-6-7-24(9-11)12-4-2-3-5-12/h8,11-12,21H,2-7,9H2,1H3.
What are the key properties of N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 354.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133292233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).