1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone

C18H15N3O2 — CID 135965930

IUPAC1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc(-c3ccc(O)cc3)cnc2N)cc1
InChIInChI=1S/C18H15N3O2/c1-11(22)12-2-4-14(5-3-12)17-18(19)20-10-16(21-17)13-6-8-15(23)9-7-13/h2-10,23H,1H3,(H2,19,20)
InChIKeyQRERMBFDQRMTHO-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.30
Rot. Bonds3

About 1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone

1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone (PubChem CID 135965930) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone
PubChem CID135965930
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc(-c3ccc(O)cc3)cnc2N)cc1
InChIInChI=1S/C18H15N3O2/c1-11(22)12-2-4-14(5-3-12)17-18(19)20-10-16(21-17)13-6-8-15(23)9-7-13/h2-10,23H,1H3,(H2,19,20)
InChIKeyQRERMBFDQRMTHO-UHFFFAOYSA-N
XLogP3.30
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone (CID 135965930) is 1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone is CC(=O)c1ccc(-c2nc(-c3ccc(O)cc3)cnc2N)cc1.
What is the InChIKey of 1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone?
The InChIKey is QRERMBFDQRMTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11(22)12-2-4-14(5-3-12)17-18(19)20-10-16(21-17)13-6-8-15(23)9-7-13/h2-10,23H,1H3,(H2,19,20).
What are the key properties of 1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone?
1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone has a molecular weight of 305.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone is sourced from PubChem (CID 135965930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).