4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol

C16H13N3O2 — CID 135433453

IUPAC4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol
SMILESNc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C16H13N3O2/c17-16-15(11-3-7-13(21)8-4-11)19-14(9-18-16)10-1-5-12(20)6-2-10/h1-9,20-21H,(H2,17,18)
InChIKeyGVOBQMZAUBVHSN-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.80
Rot. Bonds2

About 4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol

4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol (PubChem CID 135433453) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol
PubChem CID135433453
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol
SMILESNc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C16H13N3O2/c17-16-15(11-3-7-13(21)8-4-11)19-14(9-18-16)10-1-5-12(20)6-2-10/h1-9,20-21H,(H2,17,18)
InChIKeyGVOBQMZAUBVHSN-UHFFFAOYSA-N
XLogP2.80
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol?
The IUPAC name of 4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol (CID 135433453) is 4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol.
What is the SMILES notation for 4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol?
The canonical SMILES for 4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol is Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol?
The InChIKey is GVOBQMZAUBVHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-16-15(11-3-7-13(21)8-4-11)19-14(9-18-16)10-1-5-12(20)6-2-10/h1-9,20-21H,(H2,17,18).
What are the key properties of 4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol?
4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol has a molecular weight of 279.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol is sourced from PubChem (CID 135433453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).