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

C15H19F3N6 — CID 133381228

IUPACN-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine
SMILESCc1cc(N2CCC(NC3CC3)CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H19F3N6/c1-9-8-12(23-6-4-11(5-7-23)20-10-2-3-10)24-14(19-9)21-13(22-24)15(16,17)18/h8,10-11,20H,2-7H2,1H3
InChIKeyZYDUYOCRQRWALR-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.17
Rot. Bonds3

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

N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine (PubChem CID 133381228) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine
PubChem CID133381228
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC NameN-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine
SMILESCc1cc(N2CCC(NC3CC3)CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H19F3N6/c1-9-8-12(23-6-4-11(5-7-23)20-10-2-3-10)24-14(19-9)21-13(22-24)15(16,17)18/h8,10-11,20H,2-7H2,1H3
InChIKeyZYDUYOCRQRWALR-UHFFFAOYSA-N
XLogP2.17
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4907583
(4-chlorophenyl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanone
CID 133271192
7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126825743
7-(4-benzylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4911740
7-[(3S)-3-ethoxypiperidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95138372
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-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 167946807
5-methyl-2-(trifluoromethyl)-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133450935
N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine
CID 95314791
7-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133292110
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine?
The IUPAC name of N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine (CID 133381228) is N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine.
What is the SMILES notation for N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine?
The canonical SMILES for N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine is Cc1cc(N2CCC(NC3CC3)CC2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine?
The InChIKey is ZYDUYOCRQRWALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6/c1-9-8-12(23-6-4-11(5-7-23)20-10-2-3-10)24-14(19-9)21-13(22-24)15(16,17)18/h8,10-11,20H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine?
N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine has a molecular weight of 340.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine is sourced from PubChem (CID 133381228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).