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

C15H20F3N5O — CID 71881261

IUPACN-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(c1cc(C)nc2nc(C(F)(F)F)nn12)C1CCCC1
InChIInChI=1S/C15H20F3N5O/c1-10-9-12(22(7-8-24-2)11-5-3-4-6-11)23-14(19-10)20-13(21-23)15(16,17)18/h9,11H,3-8H2,1-2H3
InChIKeyOFZFSRGXSDKQIT-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.85
Rot. Bonds5

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

N-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71881261) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID71881261
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC NameN-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(c1cc(C)nc2nc(C(F)(F)F)nn12)C1CCCC1
InChIInChI=1S/C15H20F3N5O/c1-10-9-12(22(7-8-24-2)11-5-3-4-6-11)23-14(19-10)20-13(21-23)15(16,17)18/h9,11H,3-8H2,1-2H3
InChIKeyOFZFSRGXSDKQIT-UHFFFAOYSA-N
XLogP2.85
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-Methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 4906205
N1,N1-diethyl-N4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentane-1,4-diamine
CID 71596120
5-Methyl-7-(pyrrolidin-1-yl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4902029
5-methyl-N-(3-morpholinopropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24219696
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56789651
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56790905
N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethyl-1,2-ethanediamine
CID 56887823
5-Methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 35416966
4-[2-(Chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 53212070
1-Cyclohexyl-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine
CID 24219684
(3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 32810016
5-methyl-N-(2-morpholinoethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42589503

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 71881261) is N-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCCN(c1cc(C)nc2nc(C(F)(F)F)nn12)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OFZFSRGXSDKQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-10-9-12(22(7-8-24-2)11-5-3-4-6-11)23-14(19-10)20-13(21-23)15(16,17)18/h9,11H,3-8H2,1-2H3.
What are the key properties of N-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-methoxyethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71881261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).