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

C17H14ClFN4O — CID 134091526

IUPAC2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN4O/c18-13-5-1-11(2-6-13)15-17(20-9-10-24)21-16(23-22-15)12-3-7-14(19)8-4-12/h1-8,24H,9-10H2,(H,20,21,23)
InChIKeyMZJCAGNFXPWQMK-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.40
Rot. Bonds5

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

2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol (PubChem CID 134091526) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol
PubChem CID134091526
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN4O/c18-13-5-1-11(2-6-13)15-17(20-9-10-24)21-16(23-22-15)12-3-7-14(19)8-4-12/h1-8,24H,9-10H2,(H,20,21,23)
InChIKeyMZJCAGNFXPWQMK-UHFFFAOYSA-N
XLogP3.40
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol?
The IUPAC name of 2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol (CID 134091526) is 2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol is OCCNc1nc(-c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol?
The InChIKey is MZJCAGNFXPWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c18-13-5-1-11(2-6-13)15-17(20-9-10-24)21-16(23-22-15)12-3-7-14(19)8-4-12/h1-8,24H,9-10H2,(H,20,21,23).
What are the key properties of 2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol?
2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol has a molecular weight of 344.78 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-triazin-5-yl]amino]ethanol is sourced from PubChem (CID 134091526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).