4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine

C21H23F3N6O — CID 169246763

IUPAC4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2ccc(OC(F)(F)F)cc2)c(N2CCC(c3nnc(N)n3C)CC2)n1
InChIInChI=1S/C21H23F3N6O/c1-13-3-8-17(14-4-6-16(7-5-14)31-21(22,23)24)19(26-13)30-11-9-15(10-12-30)18-27-28-20(25)29(18)2/h3-8,15H,9-12H2,1-2H3,(H2,25,28)
InChIKeyWYPIVYBBMINEPP-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.05
Rot. Bonds4

About 4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine

4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine (PubChem CID 169246763) has the molecular formula C21H23F3N6O and a molecular weight of 432.45 g/mol. Its IUPAC name is 4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine
PubChem CID169246763
Molecular FormulaC21H23F3N6O
Molecular Weight432.45 g/mol
Exact Mass432.19
IUPAC Name4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2ccc(OC(F)(F)F)cc2)c(N2CCC(c3nnc(N)n3C)CC2)n1
InChIInChI=1S/C21H23F3N6O/c1-13-3-8-17(14-4-6-16(7-5-14)31-21(22,23)24)19(26-13)30-11-9-15(10-12-30)18-27-28-20(25)29(18)2/h3-8,15H,9-12H2,1-2H3,(H2,25,28)
InChIKeyWYPIVYBBMINEPP-UHFFFAOYSA-N
XLogP4.05
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine with MolForge

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CID 91884614
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
5-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186487
Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166
N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-(4-(trifluoromethyl)phenoxy)pyrimidin-4-amine (15h)
CID 91970523
2-(4-Methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 754802
CID 22177860
CID 22177860
N-((1-ethylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 25025645
3-(Cyclopropylmethyl)-7-[3-fluoro-4-(2-methylpyridin-4-yl)oxyphenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 49801368
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57399976

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine (CID 169246763) is 4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine is Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c(N2CCC(c3nnc(N)n3C)CC2)n1.
What is the InChIKey of 4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine?
The InChIKey is WYPIVYBBMINEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-13-3-8-17(14-4-6-16(7-5-14)31-21(22,23)24)19(26-13)30-11-9-15(10-12-30)18-27-28-20(25)29(18)2/h3-8,15H,9-12H2,1-2H3,(H2,25,28).
What are the key properties of 4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine?
4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine has a molecular weight of 432.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 169246763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).