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

C18H11ClFN5 — CID 135234354

IUPAC6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2ccc3nccc(Cl)c3c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H11ClFN5/c19-14-7-8-22-15-6-3-11(9-13(14)15)17-16(23-18(21)25-24-17)10-1-4-12(20)5-2-10/h1-9H,(H2,21,23,25)
InChIKeyREOXKEBHFLCYSK-UHFFFAOYSA-N
MW351.77 g/mol
LogP4.13
Rot. Bonds2

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

6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 135234354) has the molecular formula C18H11ClFN5 and a molecular weight of 351.77 g/mol. Its IUPAC name is 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID135234354
Molecular FormulaC18H11ClFN5
Molecular Weight351.77 g/mol
Exact Mass351.07
IUPAC Name6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2ccc3nccc(Cl)c3c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H11ClFN5/c19-14-7-8-22-15-6-3-11(9-13(14)15)17-16(23-18(21)25-24-17)10-1-4-12(20)5-2-10/h1-9H,(H2,21,23,25)
InChIKeyREOXKEBHFLCYSK-UHFFFAOYSA-N
XLogP4.13
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (CID 135234354) is 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is Nc1nnc(-c2ccc3nccc(Cl)c3c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is REOXKEBHFLCYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5/c19-14-7-8-22-15-6-3-11(9-13(14)15)17-16(23-18(21)25-24-17)10-1-4-12(20)5-2-10/h1-9H,(H2,21,23,25).
What are the key properties of 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 351.77 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).