3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine

C18H14F3N5 — CID 112962943

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1ccc(Nc2cnnc(N3CCCc4ccccc43)n2)c(F)c1F
InChIInChI=1S/C18H14F3N5/c19-12-7-8-13(17(21)16(12)20)23-15-10-22-25-18(24-15)26-9-3-5-11-4-1-2-6-14(11)26/h1-2,4,6-8,10H,3,5,9H2,(H,23,24,25)
InChIKeyASHIYVRQZKTSSB-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.12
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 112962943) has the molecular formula C18H14F3N5 and a molecular weight of 357.34 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine
PubChem CID112962943
Molecular FormulaC18H14F3N5
Molecular Weight357.34 g/mol
Exact Mass357.12
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1ccc(Nc2cnnc(N3CCCc4ccccc43)n2)c(F)c1F
InChIInChI=1S/C18H14F3N5/c19-12-7-8-13(17(21)16(12)20)23-15-10-22-25-18(24-15)26-9-3-5-11-4-1-2-6-14(11)26/h1-2,4,6-8,10H,3,5,9H2,(H,23,24,25)
InChIKeyASHIYVRQZKTSSB-UHFFFAOYSA-N
XLogP4.12
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112962871
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962856
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine
CID 112939966
3-(2,3-dihydroindol-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962664
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112927953
N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112941511
N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112962734
3-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethyl-1,2,4-triazin-5-amine
CID 112958207
3-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazin-5-amine
CID 112962724
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine
CID 112954146
3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948938
ethyl 4-[5-(2,3,4-trifluoroanilino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112957184

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine (CID 112962943) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine is Fc1ccc(Nc2cnnc(N3CCCc4ccccc43)n2)c(F)c1F.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is ASHIYVRQZKTSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5/c19-12-7-8-13(17(21)16(12)20)23-15-10-22-25-18(24-15)26-9-3-5-11-4-1-2-6-14(11)26/h1-2,4,6-8,10H,3,5,9H2,(H,23,24,25).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 357.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112962943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).