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

C20H19N5 — CID 3071196

IUPAC3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1ccc(-c2nnc3c4ccccc4c(N4CCCCC4)nn23)cc1
InChIInChI=1S/C20H19N5/c1-3-9-15(10-4-1)18-21-22-19-16-11-5-6-12-17(16)20(23-25(18)19)24-13-7-2-8-14-24/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyYRSBUBOHVMZWGF-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.93
Rot. Bonds2

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

3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 3071196) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID3071196
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1ccc(-c2nnc3c4ccccc4c(N4CCCCC4)nn23)cc1
InChIInChI=1S/C20H19N5/c1-3-9-15(10-4-1)18-21-22-19-16-11-5-6-12-17(16)20(23-25(18)19)24-13-7-2-8-14-24/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyYRSBUBOHVMZWGF-UHFFFAOYSA-N
XLogP3.93
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine (CID 3071196) is 3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine is c1ccc(-c2nnc3c4ccccc4c(N4CCCCC4)nn23)cc1.
What is the InChIKey of 3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is YRSBUBOHVMZWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-3-9-15(10-4-1)18-21-22-19-16-11-5-6-12-17(16)20(23-25(18)19)24-13-7-2-8-14-24/h1,3-6,9-12H,2,7-8,13-14H2.
What are the key properties of 3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine?
3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 329.41 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 3071196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).