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

C20H19N5O2 — CID 155525494

IUPAC8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1c(C)cc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1C
InChIInChI=1S/C20H19N5O2/c1-12-9-14(10-13(2)17(12)27-3)16-11-24-19(18(21)22-16)23-25(20(24)26)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,21,22)
InChIKeyFVXMIEXJXLWTRO-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.75
Rot. Bonds3

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

8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 155525494) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID155525494
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1c(C)cc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1C
InChIInChI=1S/C20H19N5O2/c1-12-9-14(10-13(2)17(12)27-3)16-11-24-19(18(21)22-16)23-25(20(24)26)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,21,22)
InChIKeyFVXMIEXJXLWTRO-UHFFFAOYSA-N
XLogP2.75
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 155525494) is 8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1c(C)cc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1C.
What is the InChIKey of 8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is FVXMIEXJXLWTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-9-14(10-13(2)17(12)27-3)16-11-24-19(18(21)22-16)23-25(20(24)26)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,21,22).
What are the key properties of 8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 361.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 155525494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).