3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol

C25H23N3O2 — CID 18452669

IUPAC3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol
SMILESCN(CC(O)c1cccc(O)c1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C25H23N3O2/c1-28(17-22(30)20-13-8-14-21(29)15-20)23-16-26-24(18-9-4-2-5-10-18)25(27-23)19-11-6-3-7-12-19/h2-16,22,29-30H,17H2,1H3
InChIKeyUNGGTDDGVGIMEX-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.69
Rot. Bonds6

About 3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol

3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol (PubChem CID 18452669) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol
PubChem CID18452669
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol
SMILESCN(CC(O)c1cccc(O)c1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C25H23N3O2/c1-28(17-22(30)20-13-8-14-21(29)15-20)23-16-26-24(18-9-4-2-5-10-18)25(27-23)19-11-6-3-7-12-19/h2-16,22,29-30H,17H2,1H3
InChIKeyUNGGTDDGVGIMEX-UHFFFAOYSA-N
XLogP4.69
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol?
The IUPAC name of 3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol (CID 18452669) is 3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol?
The canonical SMILES for 3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol is CN(CC(O)c1cccc(O)c1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol?
The InChIKey is UNGGTDDGVGIMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-28(17-22(30)20-13-8-14-21(29)15-20)23-16-26-24(18-9-4-2-5-10-18)25(27-23)19-11-6-3-7-12-19/h2-16,22,29-30H,17H2,1H3.
What are the key properties of 3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol?
3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol has a molecular weight of 397.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 18452669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).