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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Related Compounds

3-(8-Morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 9922221
3-(2-Methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 57394838
3-[3-(4-Methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
CID 57401845
4-[4-Phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135529495
4-(5-Amino-6-(phenylmethyl)-2-pyrazinyl)phenol
CID 193743
2-Methyl-4-[4-phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135987672
2-[3-[2-[(5,6-Diphenylpyrazin-2-yl)-methylamino]ethyl]phenoxy]acetic acid
CID 18452637
3-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 117770359
3-(6-Phenylimidazo [1,2-a]pyrazin-3-yl)phenol
CID 126673041
4-[5-Amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol
CID 135433453
3-[6-(Methylamino)pyrazin-2-yl]phenol
CID 49790289
4-[6-(Benzylamino)pyrazin-2-yl]phenol
CID 136049440

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).