[4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol

C22H21N3O — CID 118391251

IUPAC[4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol
SMILESC=Cc1cc(CO)ccc1-c1nc(Cc2ccccc2)c(N)nc1C=C
InChIInChI=1S/C22H21N3O/c1-3-17-12-16(14-26)10-11-18(17)21-19(4-2)25-22(23)20(24-21)13-15-8-6-5-7-9-15/h3-12,26H,1-2,13-14H2,(H2,23,25)
InChIKeyGMXKYWFRZPQBLH-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.09
Rot. Bonds6

About [4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol

[4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol (PubChem CID 118391251) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol.

Molecular Properties

Compound Name[4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol
PubChem CID118391251
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name[4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol
SMILESC=Cc1cc(CO)ccc1-c1nc(Cc2ccccc2)c(N)nc1C=C
InChIInChI=1S/C22H21N3O/c1-3-17-12-16(14-26)10-11-18(17)21-19(4-2)25-22(23)20(24-21)13-15-8-6-5-7-9-15/h3-12,26H,1-2,13-14H2,(H2,23,25)
InChIKeyGMXKYWFRZPQBLH-UHFFFAOYSA-N
XLogP4.09
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol?
The IUPAC name of [4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol (CID 118391251) is [4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol.
What is the SMILES notation for [4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol?
The canonical SMILES for [4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol is C=Cc1cc(CO)ccc1-c1nc(Cc2ccccc2)c(N)nc1C=C.
What is the InChIKey of [4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol?
The InChIKey is GMXKYWFRZPQBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-3-17-12-16(14-26)10-11-18(17)21-19(4-2)25-22(23)20(24-21)13-15-8-6-5-7-9-15/h3-12,26H,1-2,13-14H2,(H2,23,25).
What are the key properties of [4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol?
[4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol has a molecular weight of 343.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-6-benzyl-3-ethenylpyrazin-2-yl)-3-ethenylphenyl]methanol is sourced from PubChem (CID 118391251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).