4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol

C19H17N3O — CID 137240755

IUPAC4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol
SMILESNc1ncc(/C=C/c2ccc(O)cc2)nc1Cc1ccccc1
InChIInChI=1S/C19H17N3O/c20-19-18(12-15-4-2-1-3-5-15)22-16(13-21-19)9-6-14-7-10-17(23)11-8-14/h1-11,13,23H,12H2,(H2,20,21)/b9-6+
InChIKeyYJZLEGPWGHZGCC-RMKNXTFCSA-N
MW303.37 g/mol
LogP3.53
Rot. Bonds4

About 4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol

4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol (PubChem CID 137240755) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol
PubChem CID137240755
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol
SMILESNc1ncc(/C=C/c2ccc(O)cc2)nc1Cc1ccccc1
InChIInChI=1S/C19H17N3O/c20-19-18(12-15-4-2-1-3-5-15)22-16(13-21-19)9-6-14-7-10-17(23)11-8-14/h1-11,13,23H,12H2,(H2,20,21)/b9-6+
InChIKeyYJZLEGPWGHZGCC-RMKNXTFCSA-N
XLogP3.53
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
4-(2-pyridin-2-ylethenyl)phenol
CID 4736878
6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-3-ol
CID 135503118
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
4-[2-[6-[2-(4-hydroxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenol
CID 136509962
4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol
CID 137229184
4-(2-benzo[f]quinolin-3-ylethenyl)phenol
CID 137229369
3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane
CID 153387650
3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 10568339
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol?
The IUPAC name of 4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol (CID 137240755) is 4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol is Nc1ncc(/C=C/c2ccc(O)cc2)nc1Cc1ccccc1.
What is the InChIKey of 4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol?
The InChIKey is YJZLEGPWGHZGCC-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H17N3O/c20-19-18(12-15-4-2-1-3-5-15)22-16(13-21-19)9-6-14-7-10-17(23)11-8-14/h1-11,13,23H,12H2,(H2,20,21)/b9-6+.
What are the key properties of 4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol?
4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol has a molecular weight of 303.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-amino-6-benzylpyrazin-2-yl)ethenyl]phenol is sourced from PubChem (CID 137240755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).