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

C18H16FN5 — CID 112962871

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1ccccc1Nc1cnnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C18H16FN5/c19-14-8-2-3-9-15(14)21-17-12-20-23-18(22-17)24-11-5-7-13-6-1-4-10-16(13)24/h1-4,6,8-10,12H,5,7,11H2,(H,21,22,23)
InChIKeyAZGMDIWWMQAMNK-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.84
Rot. Bonds3

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

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 112962871) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
PubChem CID112962871
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1ccccc1Nc1cnnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C18H16FN5/c19-14-8-2-3-9-15(14)21-17-12-20-23-18(22-17)24-11-5-7-13-6-1-4-10-16(13)24/h1-4,6,8-10,12H,5,7,11H2,(H,21,22,23)
InChIKeyAZGMDIWWMQAMNK-UHFFFAOYSA-N
XLogP3.84
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-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-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine
CID 112962943
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-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298452
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
3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960506
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
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine
CID 90128053
3-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazin-5-amine
CID 112962724

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine (CID 112962871) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine is Fc1ccccc1Nc1cnnc(N2CCCc3ccccc32)n1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is AZGMDIWWMQAMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5/c19-14-8-2-3-9-15(14)21-17-12-20-23-18(22-17)24-11-5-7-13-6-1-4-10-16(13)24/h1-4,6,8-10,12H,5,7,11H2,(H,21,22,23).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 321.36 g/mol, XLogP of 3.84, 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-fluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112962871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).