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

C20H20FN5 — CID 112953804

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
SMILESFc1ccc(CCNc2nncc(N3CCCc4ccccc43)n2)cc1
InChIInChI=1S/C20H20FN5/c21-17-9-7-15(8-10-17)11-12-22-20-24-19(14-23-25-20)26-13-3-5-16-4-1-2-6-18(16)26/h1-2,4,6-10,14H,3,5,11-13H2,(H,22,24,25)
InChIKeyUIFKGTAUVPYKLF-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.75
Rot. Bonds5

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

5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 112953804) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
PubChem CID112953804
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
SMILESFc1ccc(CCNc2nncc(N3CCCc4ccccc43)n2)cc1
InChIInChI=1S/C20H20FN5/c21-17-9-7-15(8-10-17)11-12-22-20-24-19(14-23-25-20)26-13-3-5-16-4-1-2-6-18(16)26/h1-2,4,6-10,14H,3,5,11-13H2,(H,22,24,25)
InChIKeyUIFKGTAUVPYKLF-UHFFFAOYSA-N
XLogP3.75
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950932
5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938585
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943561
N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944060
N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112941703
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112922676
N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962778
4-[3-[2-(4-fluorophenyl)ethylamino]-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946504
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945318
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine (CID 112953804) is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine is Fc1ccc(CCNc2nncc(N3CCCc4ccccc43)n2)cc1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is UIFKGTAUVPYKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c21-17-9-7-15(8-10-17)11-12-22-20-24-19(14-23-25-20)26-13-3-5-16-4-1-2-6-18(16)26/h1-2,4,6-10,14H,3,5,11-13H2,(H,22,24,25).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 349.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112953804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).