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

C15H20F3N5 — CID 154837373

IUPACN-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCC(C)C2C)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H20F3N5/c1-8-5-4-6-11(10(8)3)20-12-7-9(2)19-14-21-13(15(16,17)18)22-23(12)14/h7-8,10-11,20H,4-6H2,1-3H3
InChIKeyAXXYYUYSCNQMAY-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.69
Rot. Bonds2

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

N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 154837373) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID154837373
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC NameN-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCC(C)C2C)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H20F3N5/c1-8-5-4-6-11(10(8)3)20-12-7-9(2)19-14-21-13(15(16,17)18)22-23(12)14/h7-8,10-11,20H,4-6H2,1-3H3
InChIKeyAXXYYUYSCNQMAY-UHFFFAOYSA-N
XLogP3.69
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

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
(3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one
CID 97209299
N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133292233
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 51889059
5-methyl-N-[1-(oxan-4-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133366229
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133357128
7-cyclohexylsulfanyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 78857899
5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133435603
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
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
5-methyl-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133380513

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 154837373) is N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCCC(C)C2C)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AXXYYUYSCNQMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-8-5-4-6-11(10(8)3)20-12-7-9(2)19-14-21-13(15(16,17)18)22-23(12)14/h7-8,10-11,20H,4-6H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 327.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 154837373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).