3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine

C16H18F3N5 — CID 112942878

IUPAC3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESCC1CCN(c2nncc(Nc3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C16H18F3N5/c1-11-6-8-24(9-7-11)15-22-14(10-20-23-15)21-13-4-2-12(3-5-13)16(17,18)19/h2-5,10-11H,6-9H2,1H3,(H,21,22,23)
InChIKeyPGCKLMULAIHXRI-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.87
Rot. Bonds3

About 3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine

3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (PubChem CID 112942878) has the molecular formula C16H18F3N5 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
PubChem CID112942878
Molecular FormulaC16H18F3N5
Molecular Weight337.35 g/mol
Exact Mass337.15
IUPAC Name3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESCC1CCN(c2nncc(Nc3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C16H18F3N5/c1-11-6-8-24(9-7-11)15-22-14(10-20-23-15)21-13-4-2-12(3-5-13)16(17,18)19/h2-5,10-11H,6-9H2,1H3,(H,21,22,23)
InChIKeyPGCKLMULAIHXRI-UHFFFAOYSA-N
XLogP3.87
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-((4-aminopiperidin-1-yl)methyl)-N-p-tolylpyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 21874431
1-(1,2,4-triazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 53494177
3-Benzyl-4,5-dimethyl-6-[4-(4-trifluoromethyl-1H-imidazol-2-yl)-piperidin-1-yl]-pyridazine
CID 68551933
6-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
CID 134804977
6-N-methyl-6-N-(pyridin-3-ylmethyl)-3-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,6-diamine
CID 134809662
US10988455, Example 1(ccxi)
CID 67365064
N-[(4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 53599569
N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 53614405
N-benzyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 97447819
N-(3,4-difluorophenyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
CID 146048292
N,6-bis(4-fluorophenyl)-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
CID 146048297
6-phenyl-3-(pyridin-2-yl)-N-(3,4,5-trifluorophenyl)-1,2,4-triazin-5-amine
CID 146048306

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (CID 112942878) is 3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is CC1CCN(c2nncc(Nc3ccc(C(F)(F)F)cc3)n2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The InChIKey is PGCKLMULAIHXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5/c1-11-6-8-24(9-7-11)15-22-14(10-20-23-15)21-13-4-2-12(3-5-13)16(17,18)19/h2-5,10-11H,6-9H2,1H3,(H,21,22,23).
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine has a molecular weight of 337.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112942878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).