6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

C21H14N4O — CID 11336672

IUPAC6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1ccc(Oc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1
InChIInChI=1S/C21H14N4O/c1-3-9-15(10-4-1)19-22-23-20-17-13-7-8-14-18(17)21(24-25(19)20)26-16-11-5-2-6-12-16/h1-14H
InChIKeyUXZWCMZNERUUGD-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.74
Rot. Bonds3

About 6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 11336672) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID11336672
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1ccc(Oc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1
InChIInChI=1S/C21H14N4O/c1-3-9-15(10-4-1)19-22-23-20-17-13-7-8-14-18(17)21(24-25(19)20)26-16-11-5-2-6-12-16/h1-14H
InChIKeyUXZWCMZNERUUGD-UHFFFAOYSA-N
XLogP4.74
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 11336672) is 6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine is c1ccc(Oc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1.
What is the InChIKey of 6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is UXZWCMZNERUUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c1-3-9-15(10-4-1)19-22-23-20-17-13-7-8-14-18(17)21(24-25(19)20)26-16-11-5-2-6-12-16/h1-14H.
What are the key properties of 6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 338.37 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 11336672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).