2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C13H8Cl2N4O2 — CID 66273262

IUPAC2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cn1nc2cnccn2c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N4O2/c14-8-1-2-9(10(15)5-8)11(20)7-19-13(21)18-4-3-16-6-12(18)17-19/h1-6H,7H2
InChIKeyFMYRCJQBCWAHKU-UHFFFAOYSA-N
MW323.14 g/mol
LogP2.08
Rot. Bonds3

About 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66273262) has the molecular formula C13H8Cl2N4O2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66273262
Molecular FormulaC13H8Cl2N4O2
Molecular Weight323.14 g/mol
Exact Mass322.00
IUPAC Name2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cn1nc2cnccn2c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N4O2/c14-8-1-2-9(10(15)5-8)11(20)7-19-13(21)18-4-3-16-6-12(18)17-19/h1-6H,7H2
InChIKeyFMYRCJQBCWAHKU-UHFFFAOYSA-N
XLogP2.08
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66273262) is 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=C(Cn1nc2cnccn2c1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is FMYRCJQBCWAHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O2/c14-8-1-2-9(10(15)5-8)11(20)7-19-13(21)18-4-3-16-6-12(18)17-19/h1-6H,7H2.
What are the key properties of 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 323.14 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66273262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).