2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol

C17H13FN4O — CID 5294237

IUPAC2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol
SMILESNc1nc(/C=C/c2ccc(F)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H13FN4O/c18-12-8-5-11(6-9-12)7-10-15-20-16(22-17(19)21-15)13-3-1-2-4-14(13)23/h1-10,23H,(H2,19,20,21,22)/b10-7+
InChIKeyCHXLAEGBGVBQOB-JXMROGBWSA-N
MW308.32 g/mol
LogP3.14
Rot. Bonds3

About 2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol

2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol (PubChem CID 5294237) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol
PubChem CID5294237
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol
SMILESNc1nc(/C=C/c2ccc(F)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H13FN4O/c18-12-8-5-11(6-9-12)7-10-15-20-16(22-17(19)21-15)13-3-1-2-4-14(13)23/h1-10,23H,(H2,19,20,21,22)/b10-7+
InChIKeyCHXLAEGBGVBQOB-JXMROGBWSA-N
XLogP3.14
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol (CID 5294237) is 2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol is Nc1nc(/C=C/c2ccc(F)cc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol?
The InChIKey is CHXLAEGBGVBQOB-JXMROGBWSA-N. The full InChI is InChI=1S/C17H13FN4O/c18-12-8-5-11(6-9-12)7-10-15-20-16(22-17(19)21-15)13-3-1-2-4-14(13)23/h1-10,23H,(H2,19,20,21,22)/b10-7+.
What are the key properties of 2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol?
2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol has a molecular weight of 308.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 5294237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).