6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

C19H13F2N5 — CID 135234349

IUPAC6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1ccnc2c(F)cc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C19H13F2N5/c1-10-6-7-23-18-14(10)8-12(9-15(18)21)17-16(24-19(22)26-25-17)11-2-4-13(20)5-3-11/h2-9H,1H3,(H2,22,24,26)
InChIKeySUDDIAMFMCPDOV-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.92
Rot. Bonds2

About 6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 135234349) has the molecular formula C19H13F2N5 and a molecular weight of 349.34 g/mol. Its IUPAC name is 6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID135234349
Molecular FormulaC19H13F2N5
Molecular Weight349.34 g/mol
Exact Mass349.11
IUPAC Name6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1ccnc2c(F)cc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C19H13F2N5/c1-10-6-7-23-18-14(10)8-12(9-15(18)21)17-16(24-19(22)26-25-17)11-2-4-13(20)5-3-11/h2-9H,1H3,(H2,22,24,26)
InChIKeySUDDIAMFMCPDOV-UHFFFAOYSA-N
XLogP3.92
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (CID 135234349) is 6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is Cc1ccnc2c(F)cc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is SUDDIAMFMCPDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5/c1-10-6-7-23-18-14(10)8-12(9-15(18)21)17-16(24-19(22)26-25-17)11-2-4-13(20)5-3-11/h2-9H,1H3,(H2,22,24,26).
What are the key properties of 6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 349.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).