8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C18H15N5O3 — CID 155525265

IUPAC8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1cc(O)ccc1-c1cn2c(=O)n(-c3ccccc3)nc2c(N)n1
InChIInChI=1S/C18H15N5O3/c1-26-15-9-12(24)7-8-13(15)14-10-22-17(16(19)20-14)21-23(18(22)25)11-5-3-2-4-6-11/h2-10,24H,1H3,(H2,19,20)
InChIKeyUVFATQJHJQXQPF-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.84
Rot. Bonds3

About 8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one

8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 155525265) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID155525265
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1cc(O)ccc1-c1cn2c(=O)n(-c3ccccc3)nc2c(N)n1
InChIInChI=1S/C18H15N5O3/c1-26-15-9-12(24)7-8-13(15)14-10-22-17(16(19)20-14)21-23(18(22)25)11-5-3-2-4-6-11/h2-10,24H,1H3,(H2,19,20)
InChIKeyUVFATQJHJQXQPF-UHFFFAOYSA-N
XLogP1.84
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 155525265) is 8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1cc(O)ccc1-c1cn2c(=O)n(-c3ccccc3)nc2c(N)n1.
What is the InChIKey of 8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is UVFATQJHJQXQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-26-15-9-12(24)7-8-13(15)14-10-22-17(16(19)20-14)21-23(18(22)25)11-5-3-2-4-6-11/h2-10,24H,1H3,(H2,19,20).
What are the key properties of 8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 349.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 155525265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).