8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C20H19N5O4 — CID 155540525

IUPAC8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1cc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc(OC)c1OC
InChIInChI=1S/C20H19N5O4/c1-27-15-9-12(10-16(28-2)17(15)29-3)14-11-24-19(18(21)22-14)23-25(20(24)26)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,21,22)
InChIKeyZVNUQVQHRWHRQA-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.16
Rot. Bonds5

About 8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 155540525) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID155540525
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1cc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc(OC)c1OC
InChIInChI=1S/C20H19N5O4/c1-27-15-9-12(10-16(28-2)17(15)29-3)14-11-24-19(18(21)22-14)23-25(20(24)26)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,21,22)
InChIKeyZVNUQVQHRWHRQA-UHFFFAOYSA-N
XLogP2.16
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

8-Amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155525494
8-Amino-6-(4-ethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 137637667
8-amino-2-(4-methoxyphenyl)-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 137644190
8-Amino-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 137651319
8-Amino-2-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 137651532
8-Amino-6-(3-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 137659930
8-Amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155519148
8-Amino-2-phenyl-6-(3,4,5-trihydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155520955
8-Amino-6-(4-hydroxy-2-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155525265
8-Amino-6-(1,3-benzodioxol-5-yl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155541790
8-Amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155553510
8-Amino-6-[4-(2,3-dihydroxypropoxy)phenyl]-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 156016949

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 155540525) is 8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1cc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc(OC)c1OC.
What is the InChIKey of 8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is ZVNUQVQHRWHRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-27-15-9-12(10-16(28-2)17(15)29-3)14-11-24-19(18(21)22-14)23-25(20(24)26)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,21,22).
What are the key properties of 8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 393.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 155540525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).