2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

C15H17ClN4O2 — CID 53193563

IUPAC2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCn3c(C)nnc3C2)cc1Cl
InChIInChI=1S/C15H17ClN4O2/c1-10-17-18-14-9-19(5-6-20(10)14)15(21)8-11-3-4-13(22-2)12(16)7-11/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyAWEAPUGXTSWTIA-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.83
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 53193563) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
PubChem CID53193563
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCn3c(C)nnc3C2)cc1Cl
InChIInChI=1S/C15H17ClN4O2/c1-10-17-18-14-9-19(5-6-20(10)14)15(21)8-11-3-4-13(22-2)12(16)7-11/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyAWEAPUGXTSWTIA-UHFFFAOYSA-N
XLogP1.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 53193563) is 2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is COc1ccc(CC(=O)N2CCn3c(C)nnc3C2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The InChIKey is AWEAPUGXTSWTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-10-17-18-14-9-19(5-6-20(10)14)15(21)8-11-3-4-13(22-2)12(16)7-11/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 320.78 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 53193563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).