6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

C22H23N5 — CID 21283349

IUPAC6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCC1CC(C)CN(c2nn3c(-c4ccccc4)nnc3c3ccccc23)C1
InChIInChI=1S/C22H23N5/c1-15-12-16(2)14-26(13-15)22-19-11-7-6-10-18(19)21-24-23-20(27(21)25-22)17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3
InChIKeyAXDZZLZAKGXZGZ-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.43
Rot. Bonds2

About 6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 21283349) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID21283349
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCC1CC(C)CN(c2nn3c(-c4ccccc4)nnc3c3ccccc23)C1
InChIInChI=1S/C22H23N5/c1-15-12-16(2)14-26(13-15)22-19-11-7-6-10-18(19)21-24-23-20(27(21)25-22)17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3
InChIKeyAXDZZLZAKGXZGZ-UHFFFAOYSA-N
XLogP4.43
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 21283349) is 6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine is CC1CC(C)CN(c2nn3c(-c4ccccc4)nnc3c3ccccc23)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is AXDZZLZAKGXZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-15-12-16(2)14-26(13-15)22-19-11-7-6-10-18(19)21-24-23-20(27(21)25-22)17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 357.46 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 21283349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).