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

C16H19F3N6 — CID 112946250

IUPAC5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(Nc3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C16H19F3N6/c1-2-24-7-9-25(10-8-24)14-11-20-23-15(22-14)21-13-5-3-12(4-6-13)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,21,22,23)
InChIKeyCDESUTVRXQYKFH-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.78
Rot. Bonds4

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

5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (PubChem CID 112946250) has the molecular formula C16H19F3N6 and a molecular weight of 352.36 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
PubChem CID112946250
Molecular FormulaC16H19F3N6
Molecular Weight352.36 g/mol
Exact Mass352.16
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(Nc3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C16H19F3N6/c1-2-24-7-9-25(10-8-24)14-11-20-23-15(22-14)21-13-5-3-12(4-6-13)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,21,22,23)
InChIKeyCDESUTVRXQYKFH-UHFFFAOYSA-N
XLogP2.78
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-4-((2-(6-(1H-imidazol-1-yl)pyridazin-3-yl)hydrazono)methyl)-N,N-dimethylaniline
CID 9614391
1-(1,2,4-triazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 53494177
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-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,6-diamine
CID 134805699
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
1-pyridazin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 53601562
N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 53614405
5-(2-fluorophenyl)-N-[(1-isobutyl-4-piperidinyl)methyl]-1,2,4-triazin-3-amine
CID 25376302
5-Phenyl-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,2,4-triazine
CID 26394500
N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
CID 26395865

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (CID 112946250) is 5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is CCN1CCN(c2cnnc(Nc3ccc(C(F)(F)F)cc3)n2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The InChIKey is CDESUTVRXQYKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6/c1-2-24-7-9-25(10-8-24)14-11-20-23-15(22-14)21-13-5-3-12(4-6-13)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,21,22,23).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine has a molecular weight of 352.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112946250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).