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

C15H17F3N6 — CID 112945895

IUPAC5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCN1CCN(c2cnnc(Nc3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C15H17F3N6/c1-23-6-8-24(9-7-23)13-10-19-22-14(21-13)20-12-4-2-11(3-5-12)15(16,17)18/h2-5,10H,6-9H2,1H3,(H,20,21,22)
InChIKeyWDOKJSKOBZWWGJ-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.39
Rot. Bonds3

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

5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (PubChem CID 112945895) has the molecular formula C15H17F3N6 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
PubChem CID112945895
Molecular FormulaC15H17F3N6
Molecular Weight338.34 g/mol
Exact Mass338.15
IUPAC Name5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCN1CCN(c2cnnc(Nc3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C15H17F3N6/c1-23-6-8-24(9-7-23)13-10-19-22-14(21-13)20-12-4-2-11(3-5-12)15(16,17)18/h2-5,10H,6-9H2,1H3,(H,20,21,22)
InChIKeyWDOKJSKOBZWWGJ-UHFFFAOYSA-N
XLogP2.39
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,6-diamine
CID 134809662
US10988455, Example 1(ccxi)
CID 67365064
3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine
CID 46889616
N-[(4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 53599569
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
5-(4-fluorophenyl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine
CID 42100368
5-(4-fluorophenyl)-N-[2-(1-piperidinyl)ethyl]-1,2,4-triazin-3-amine
CID 42514045

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (CID 112945895) is 5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is CN1CCN(c2cnnc(Nc3ccc(C(F)(F)F)cc3)n2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The InChIKey is WDOKJSKOBZWWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6/c1-23-6-8-24(9-7-23)13-10-19-22-14(21-13)20-12-4-2-11(3-5-12)15(16,17)18/h2-5,10H,6-9H2,1H3,(H,20,21,22).
What are the key properties of 5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine has a molecular weight of 338.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112945895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).