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

C17H19ClF3N5 — CID 112960456

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C17H19ClF3N5/c1-2-12-5-3-4-8-26(12)15-10-22-25-16(24-15)23-14-7-6-11(18)9-13(14)17(19,20)21/h6-7,9-10,12H,2-5,8H2,1H3,(H,23,24,25)
InChIKeyRHRNVVTXRWJPDF-UHFFFAOYSA-N
MW385.82 g/mol
LogP5.06
Rot. Bonds4

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112960456) has the molecular formula C17H19ClF3N5 and a molecular weight of 385.82 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112960456
Molecular FormulaC17H19ClF3N5
Molecular Weight385.82 g/mol
Exact Mass385.13
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C17H19ClF3N5/c1-2-12-5-3-4-8-26(12)15-10-22-25-16(24-15)23-14-7-6-11(18)9-13(14)17(19,20)21/h6-7,9-10,12H,2-5,8H2,1H3,(H,23,24,25)
InChIKeyRHRNVVTXRWJPDF-UHFFFAOYSA-N
XLogP5.06
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.82
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960459
N-(2,5-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960460
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398
N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960392
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960463
N-(3-chloro-4-methylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960402
N-(3,5-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960380
5-(2-ethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112960414
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960381
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112941690
N-(3,4-dimethoxyphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960419
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900912

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112960456) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is CCC1CCCCN1c1cnnc(Nc2ccc(Cl)cc2C(F)(F)F)n1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is RHRNVVTXRWJPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N5/c1-2-12-5-3-4-8-26(12)15-10-22-25-16(24-15)23-14-7-6-11(18)9-13(14)17(19,20)21/h6-7,9-10,12H,2-5,8H2,1H3,(H,23,24,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 385.82 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112960456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).