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

C19H17N5O3 — CID 155519148

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

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

8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 155519148) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID155519148
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)c(OC)c1
InChIInChI=1S/C19H17N5O3/c1-26-13-8-9-14(16(10-13)27-2)15-11-23-18(17(20)21-15)22-24(19(23)25)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,20,21)
InChIKeyYWEBCQWTOPUQHE-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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Related Compounds

4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole
CID 71614056
4-(2,4-dimethoxyphenyl)imidazole-1,2-diamine
CID 82290592
N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide
CID 155521694
3-(2-methoxyphenyl)-1-phenylpyrazol-5-amine
CID 16770102
N'-[2-(2,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]ethane-1,2-diamine
CID 67545807
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 3582112
3-amino-4-(2,5-dimethoxyphenyl)-1-phenyl-5H-pyrazolo[3,4-d]pyrimidine-6-thione
CID 167529915
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4262770
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 3541559
5-(2,4-dimethoxyphenyl)-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 3947636
3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide
CID 4693927

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 155519148) is 8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)c(OC)c1.
What is the InChIKey of 8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is YWEBCQWTOPUQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-26-13-8-9-14(16(10-13)27-2)15-11-23-18(17(20)21-15)22-24(19(23)25)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,20,21).
What are the key properties of 8-amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
8-amino-6-(2,4-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-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 155519148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).