8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H7ClN4O2 — CID 95916431

IUPAC8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1[nH]nc2c(Oc3cccc(Cl)c3)nccn12
InChIInChI=1S/C11H7ClN4O2/c12-7-2-1-3-8(6-7)18-10-9-14-15-11(17)16(9)5-4-13-10/h1-6H,(H,15,17)
InChIKeyHTYZEKDCNBXGSG-UHFFFAOYSA-N
MW262.66 g/mol
LogP1.86
Rot. Bonds2

About 8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 95916431) has the molecular formula C11H7ClN4O2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID95916431
Molecular FormulaC11H7ClN4O2
Molecular Weight262.66 g/mol
Exact Mass262.03
IUPAC Name8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1[nH]nc2c(Oc3cccc(Cl)c3)nccn12
InChIInChI=1S/C11H7ClN4O2/c12-7-2-1-3-8(6-7)18-10-9-14-15-11(17)16(9)5-4-13-10/h1-6H,(H,15,17)
InChIKeyHTYZEKDCNBXGSG-UHFFFAOYSA-N
XLogP1.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 95916431) is 8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1[nH]nc2c(Oc3cccc(Cl)c3)nccn12.
What is the InChIKey of 8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is HTYZEKDCNBXGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2/c12-7-2-1-3-8(6-7)18-10-9-14-15-11(17)16(9)5-4-13-10/h1-6H,(H,15,17).
What are the key properties of 8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 262.66 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 95916431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).