4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol

C19H14N4O2 — CID 135610077

IUPAC4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol
SMILESNc1cncc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C19H14N4O2/c20-15-9-21-10-16-19(15)23-18(12-3-7-14(25)8-4-12)17(22-16)11-1-5-13(24)6-2-11/h1-10,24-25H,20H2
InChIKeyPNJIVJBQCZJXFE-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.35
Rot. Bonds2

About 4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol

4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol (PubChem CID 135610077) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol
PubChem CID135610077
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol
SMILESNc1cncc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C19H14N4O2/c20-15-9-21-10-16-19(15)23-18(12-3-7-14(25)8-4-12)17(22-16)11-1-5-13(24)6-2-11/h1-10,24-25H,20H2
InChIKeyPNJIVJBQCZJXFE-UHFFFAOYSA-N
XLogP3.35
TPSA105.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol?
The IUPAC name of 4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol (CID 135610077) is 4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol is Nc1cncc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc12.
What is the InChIKey of 4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol?
The InChIKey is PNJIVJBQCZJXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c20-15-9-21-10-16-19(15)23-18(12-3-7-14(25)8-4-12)17(22-16)11-1-5-13(24)6-2-11/h1-10,24-25H,20H2.
What are the key properties of 4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol?
4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol has a molecular weight of 330.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-2-(4-hydroxyphenyl)pyrido[3,4-b]pyrazin-3-yl]phenol is sourced from PubChem (CID 135610077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).