5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine

C15H16F3N5 — CID 112942742

IUPAC5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
SMILESCC1CCN(c2cnnc(Nc3ccc(F)c(F)c3F)n2)CC1
InChIInChI=1S/C15H16F3N5/c1-9-4-6-23(7-5-9)12-8-19-22-15(21-12)20-11-3-2-10(16)13(17)14(11)18/h2-3,8-9H,4-7H2,1H3,(H,20,21,22)
InChIKeyNASPEEPSBKLTCD-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.27
Rot. Bonds3

About 5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine

5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 112942742) has the molecular formula C15H16F3N5 and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
PubChem CID112942742
Molecular FormulaC15H16F3N5
Molecular Weight323.32 g/mol
Exact Mass323.14
IUPAC Name5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
SMILESCC1CCN(c2cnnc(Nc3ccc(F)c(F)c3F)n2)CC1
InChIInChI=1S/C15H16F3N5/c1-9-4-6-23(7-5-9)12-8-19-22-15(21-12)20-11-3-2-10(16)13(17)14(11)18/h2-3,8-9H,4-7H2,1H3,(H,20,21,22)
InChIKeyNASPEEPSBKLTCD-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(2,3,4-trifluoroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946996
5-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
CID 112958097
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
CID 112956574
ethyl 4-[3-(2,3,4-trifluoroanilino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112957089
N-(2,6-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942732
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942668
methyl 2-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]benzoate
CID 112942696
5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112942724
N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942649
N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942648
N-(3,4-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942728
5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938499

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine (CID 112942742) is 5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine is CC1CCN(c2cnnc(Nc3ccc(F)c(F)c3F)n2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is NASPEEPSBKLTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5/c1-9-4-6-23(7-5-9)12-8-19-22-15(21-12)20-11-3-2-10(16)13(17)14(11)18/h2-3,8-9H,4-7H2,1H3,(H,20,21,22).
What are the key properties of 5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine?
5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 323.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112942742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).