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

C15H16F3N5 — CID 112941939

IUPAC5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESFC(F)(F)c1ccc(Nc2nncc(N3CCCCC3)n2)cc1
InChIInChI=1S/C15H16F3N5/c16-15(17,18)11-4-6-12(7-5-11)20-14-21-13(10-19-22-14)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9H2,(H,20,21,22)
InChIKeyYBCNSPTZBUZDLW-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.62
Rot. Bonds3

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

5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (PubChem CID 112941939) has the molecular formula C15H16F3N5 and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
PubChem CID112941939
Molecular FormulaC15H16F3N5
Molecular Weight323.32 g/mol
Exact Mass323.14
IUPAC Name5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESFC(F)(F)c1ccc(Nc2nncc(N3CCCCC3)n2)cc1
InChIInChI=1S/C15H16F3N5/c16-15(17,18)11-4-6-12(7-5-11)20-14-21-13(10-19-22-14)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9H2,(H,20,21,22)
InChIKeyYBCNSPTZBUZDLW-UHFFFAOYSA-N
XLogP3.62
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine
CID 46889616
6-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-3-amine
CID 46889618
N-[(4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 53599569
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
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
N-[(1-methyl-2-piperidinyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 45219585
5-[(4-aminopiperidin-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 21874405

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (CID 112941939) is 5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is FC(F)(F)c1ccc(Nc2nncc(N3CCCCC3)n2)cc1.
What is the InChIKey of 5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The InChIKey is YBCNSPTZBUZDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5/c16-15(17,18)11-4-6-12(7-5-11)20-14-21-13(10-19-22-14)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9H2,(H,20,21,22).
What are the key properties of 5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine has a molecular weight of 323.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).