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

C16H18F3N5 — CID 112960645

IUPAC5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCC1CCCN(c2cnnc(Nc3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C16H18F3N5/c1-11-4-3-7-24(10-11)14-9-20-23-15(22-14)21-13-6-2-5-12(8-13)16(17,18)19/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,21,22,23)
InChIKeyIAHHJZKVAGRWTL-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.87
Rot. Bonds3

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

5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (PubChem CID 112960645) has the molecular formula C16H18F3N5 and a molecular weight of 337.35 g/mol. Its IUPAC name is 5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
PubChem CID112960645
Molecular FormulaC16H18F3N5
Molecular Weight337.35 g/mol
Exact Mass337.15
IUPAC Name5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCC1CCCN(c2cnnc(Nc3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C16H18F3N5/c1-11-4-3-7-24(10-11)14-9-20-23-15(22-14)21-13-6-2-5-12(8-13)16(17,18)19/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,21,22,23)
InChIKeyIAHHJZKVAGRWTL-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-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960699
5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112960612
5-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112939226
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053
1-[3-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112942692
N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112950368
5-N-tert-butyl-3-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112958954
5-N-propyl-3-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112938432
(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109240749
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960690
4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
CID 112938025
N-[3-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112926107

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (CID 112960645) is 5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is CC1CCCN(c2cnnc(Nc3cccc(C(F)(F)F)c3)n2)C1.
What is the InChIKey of 5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The InChIKey is IAHHJZKVAGRWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5/c1-11-4-3-7-24(10-11)14-9-20-23-15(22-14)21-13-6-2-5-12(8-13)16(17,18)19/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,21,22,23).
What are the key properties of 5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-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 5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112960645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).