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

C16H18F3N5 — CID 112960756

IUPAC3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESCC1CCCN(c2nncc(Nc3ccccc3C(F)(F)F)n2)C1
InChIInChI=1S/C16H18F3N5/c1-11-5-4-8-24(10-11)15-22-14(9-20-23-15)21-13-7-3-2-6-12(13)16(17,18)19/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,21,22,23)
InChIKeyWNQSBNOWCJXPFR-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.87
Rot. Bonds3

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

3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (PubChem CID 112960756) has the molecular formula C16H18F3N5 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
PubChem CID112960756
Molecular FormulaC16H18F3N5
Molecular Weight337.35 g/mol
Exact Mass337.15
IUPAC Name3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESCC1CCCN(c2nncc(Nc3ccccc3C(F)(F)F)n2)C1
InChIInChI=1S/C16H18F3N5/c1-11-5-4-8-24(10-11)15-22-14(9-20-23-15)21-13-7-3-2-6-12(13)16(17,18)19/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,21,22,23)
InChIKeyWNQSBNOWCJXPFR-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

N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960779
N-(3-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960735
N-[2,6-di(propan-2-yl)phenyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960786
N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940732
N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960744
methyl 4-[[3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112960765
2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312704
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112948593
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
2-(azepan-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112926722
N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112960710
N-(2-bromophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926236

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (CID 112960756) is 3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is CC1CCCN(c2nncc(Nc3ccccc3C(F)(F)F)n2)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The InChIKey is WNQSBNOWCJXPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5/c1-11-5-4-8-24(10-11)15-22-14(9-20-23-15)21-13-7-3-2-6-12(13)16(17,18)19/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,21,22,23).
What are the key properties of 3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
3-(3-methylpiperidin-1-yl)-N-[2-(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-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112960756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).