6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine

C15H9ClN4O — CID 25194958

IUPAC6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESClc1ccc(Oc2nn3cnnc3c3ccccc23)cc1
InChIInChI=1S/C15H9ClN4O/c16-10-5-7-11(8-6-10)21-15-13-4-2-1-3-12(13)14-18-17-9-20(14)19-15/h1-9H
InChIKeyMQKJWOMVKNJEOR-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.72
Rot. Bonds2

About 6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine

6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 25194958) has the molecular formula C15H9ClN4O and a molecular weight of 296.72 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID25194958
Molecular FormulaC15H9ClN4O
Molecular Weight296.72 g/mol
Exact Mass296.05
IUPAC Name6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESClc1ccc(Oc2nn3cnnc3c3ccccc23)cc1
InChIInChI=1S/C15H9ClN4O/c16-10-5-7-11(8-6-10)21-15-13-4-2-1-3-12(13)14-18-17-9-20(14)19-15/h1-9H
InChIKeyMQKJWOMVKNJEOR-UHFFFAOYSA-N
XLogP3.72
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine (CID 25194958) is 6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine is Clc1ccc(Oc2nn3cnnc3c3ccccc23)cc1.
What is the InChIKey of 6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is MQKJWOMVKNJEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O/c16-10-5-7-11(8-6-10)21-15-13-4-2-1-3-12(13)14-18-17-9-20(14)19-15/h1-9H.
What are the key properties of 6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 296.72 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 25194958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).