6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

C20H16FN5 — CID 135234315

IUPAC6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCCc1ccnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C20H16FN5/c1-2-12-9-10-23-17-8-5-14(11-16(12)17)19-18(24-20(22)26-25-19)13-3-6-15(21)7-4-13/h3-11H,2H2,1H3,(H2,22,24,26)
InChIKeyVFZXFLYFOZZQIH-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.04
Rot. Bonds3

About 6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 135234315) has the molecular formula C20H16FN5 and a molecular weight of 345.38 g/mol. Its IUPAC name is 6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID135234315
Molecular FormulaC20H16FN5
Molecular Weight345.38 g/mol
Exact Mass345.14
IUPAC Name6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCCc1ccnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C20H16FN5/c1-2-12-9-10-23-17-8-5-14(11-16(12)17)19-18(24-20(22)26-25-19)13-3-6-15(21)7-4-13/h3-11H,2H2,1H3,(H2,22,24,26)
InChIKeyVFZXFLYFOZZQIH-UHFFFAOYSA-N
XLogP4.04
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (CID 135234315) is 6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is CCc1ccnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is VFZXFLYFOZZQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5/c1-2-12-9-10-23-17-8-5-14(11-16(12)17)19-18(24-20(22)26-25-19)13-3-6-15(21)7-4-13/h3-11H,2H2,1H3,(H2,22,24,26).
What are the key properties of 6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 345.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).