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

C13H13ClN4O2 — CID 53193613

IUPAC2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCn2cnnc2C1
InChIInChI=1S/C13H13ClN4O2/c14-10-1-3-11(4-2-10)20-8-13(19)17-5-6-18-9-15-16-12(18)7-17/h1-4,9H,5-8H2
InChIKeyFMWJFODPLWXQDM-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.35
Rot. Bonds3

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

2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 53193613) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
PubChem CID53193613
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCn2cnnc2C1
InChIInChI=1S/C13H13ClN4O2/c14-10-1-3-11(4-2-10)20-8-13(19)17-5-6-18-9-15-16-12(18)7-17/h1-4,9H,5-8H2
InChIKeyFMWJFODPLWXQDM-UHFFFAOYSA-N
XLogP1.35
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone with MolForge

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Related Compounds

2-(2-Chlorophenoxy)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 45811836
1-[2-(4-Chlorophenoxy)ethyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51083721
3-(4-Chlorophenoxy)-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 53521126
1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenoxyethoxy)ethanone
CID 53566958
2-(4-Chlorophenoxy)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 53577167
2-(4-Chlorophenoxy)-1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 53584110
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide
CID 71994855
2-(4-chlorophenoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 72021568
2-(2,4-dichlorophenoxy)-N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 72873047
1-(3-Amino-1,2,4-triazol-4-yl)-2-(4-chlorophenoxy)ethanone
CID 705687
4-chlorophenyl 2-oxo-2-(4H-1,2,4-triazol-4-yl)ethyl ether
CID 1078975
2-(4-chloro-2-methylphenoxy)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 53193561

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 53193613) is 2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is O=C(COc1ccc(Cl)cc1)N1CCn2cnnc2C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The InChIKey is FMWJFODPLWXQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-10-1-3-11(4-2-10)20-8-13(19)17-5-6-18-9-15-16-12(18)7-17/h1-4,9H,5-8H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 292.73 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 53193613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).