2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol

C18H16ClFN4O — CID 6405116

IUPAC2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol
SMILESCN(CCO)c1nc(-c2ccccc2F)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN4O/c1-24(10-11-25)18-16(12-6-8-13(19)9-7-12)22-23-17(21-18)14-4-2-3-5-15(14)20/h2-9,25H,10-11H2,1H3
InChIKeyILDSDYUGNZLJIG-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.43
Rot. Bonds5

About 2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol

2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol (PubChem CID 6405116) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol
PubChem CID6405116
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol
SMILESCN(CCO)c1nc(-c2ccccc2F)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN4O/c1-24(10-11-25)18-16(12-6-8-13(19)9-7-12)22-23-17(21-18)14-4-2-3-5-15(14)20/h2-9,25H,10-11H2,1H3
InChIKeyILDSDYUGNZLJIG-UHFFFAOYSA-N
XLogP3.43
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol?
The IUPAC name of 2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol (CID 6405116) is 2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol is CN(CCO)c1nc(-c2ccccc2F)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol?
The InChIKey is ILDSDYUGNZLJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c1-24(10-11-25)18-16(12-6-8-13(19)9-7-12)22-23-17(21-18)14-4-2-3-5-15(14)20/h2-9,25H,10-11H2,1H3.
What are the key properties of 2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol?
2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol has a molecular weight of 358.80 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-yl]-methylamino]ethanol is sourced from PubChem (CID 6405116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).