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

C19H17N5O3 — CID 155553510

IUPAC8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1OC
InChIInChI=1S/C19H17N5O3/c1-26-15-9-8-12(10-16(15)27-2)14-11-23-18(17(20)21-14)22-24(19(23)25)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,20,21)
InChIKeyPCZWTWBBTBZKBM-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.15
Rot. Bonds4

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

8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 155553510) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID155553510
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1OC
InChIInChI=1S/C19H17N5O3/c1-26-15-9-8-12(10-16(15)27-2)14-11-23-18(17(20)21-14)22-24(19(23)25)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,20,21)
InChIKeyPCZWTWBBTBZKBM-UHFFFAOYSA-N
XLogP2.15
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 155553510) is 8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1OC.
What is the InChIKey of 8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is PCZWTWBBTBZKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-26-15-9-8-12(10-16(15)27-2)14-11-23-18(17(20)21-14)22-24(19(23)25)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,20,21).
What are the key properties of 8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 363.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(3,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 155553510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).