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

C11H7ClN4O2 — CID 50928575

IUPAC8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1[nH]nc2c(Oc3ccc(Cl)cc3)nccn12
InChIInChI=1S/C11H7ClN4O2/c12-7-1-3-8(4-2-7)18-10-9-14-15-11(17)16(9)6-5-13-10/h1-6H,(H,15,17)
InChIKeyVCZSBHZORUOXGH-UHFFFAOYSA-N
MW262.66 g/mol
LogP1.86
Rot. Bonds2

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

8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 50928575) has the molecular formula C11H7ClN4O2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID50928575
Molecular FormulaC11H7ClN4O2
Molecular Weight262.66 g/mol
Exact Mass262.03
IUPAC Name8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1[nH]nc2c(Oc3ccc(Cl)cc3)nccn12
InChIInChI=1S/C11H7ClN4O2/c12-7-1-3-8(4-2-7)18-10-9-14-15-11(17)16(9)6-5-13-10/h1-6H,(H,15,17)
InChIKeyVCZSBHZORUOXGH-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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Related Compounds

6-tert-butyl-8-[2-(4-chloro-3-fluorophenoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 69481630
8-(3-fluorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 176024615
8-(4-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 50928574
8-(2-Fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 97628186
2-[[2-(4-Chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17466270
1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine
CID 67579571
6-tert-butyl-8-[2-(4-chlorophenoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 69483899
8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 126698195
3-[(4-chlorophenoxy)methyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 141217125
4-amino-3-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-5-one
CID 11791327
2-[2-(4-Chlorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 60436188
8-(3-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 95916431

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 50928575) is 8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1[nH]nc2c(Oc3ccc(Cl)cc3)nccn12.
What is the InChIKey of 8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is VCZSBHZORUOXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2/c12-7-1-3-8(4-2-7)18-10-9-14-15-11(17)16(9)6-5-13-10/h1-6H,(H,15,17).
What are the key properties of 8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
8-(4-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-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 50928575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).