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

C16H19F3N6 — CID 112946426

IUPAC3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESCCN1CCN(c2nncc(Nc3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C16H19F3N6/c1-2-24-7-9-25(10-8-24)15-22-14(11-20-23-15)21-13-5-3-12(4-6-13)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,21,22,23)
InChIKeyIPWZACGJCICANY-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.78
Rot. Bonds4

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

3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (PubChem CID 112946426) has the molecular formula C16H19F3N6 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
PubChem CID112946426
Molecular FormulaC16H19F3N6
Molecular Weight352.36 g/mol
Exact Mass352.16
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESCCN1CCN(c2nncc(Nc3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C16H19F3N6/c1-2-24-7-9-25(10-8-24)15-22-14(11-20-23-15)21-13-5-3-12(4-6-13)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,21,22,23)
InChIKeyIPWZACGJCICANY-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

5-((4-aminopiperidin-1-yl)methyl)-N-p-tolylpyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 21874431
N-allyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6413024
(E)-4-((2-(6-(1H-imidazol-1-yl)pyridazin-3-yl)hydrazono)methyl)-N,N-dimethylaniline
CID 9614391
N-(3,3-dimethylbutyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 44631784
2-N,3-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
CID 142482730
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
2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
CID 140742869
US10988455, Example 1(ccxi)
CID 67365064
N-[(4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 53599569

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (CID 112946426) is 3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is CCN1CCN(c2nncc(Nc3ccc(C(F)(F)F)cc3)n2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The InChIKey is IPWZACGJCICANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6/c1-2-24-7-9-25(10-8-24)15-22-14(11-20-23-15)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 3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-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 3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112946426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).