3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine

C22H17N5O — CID 11280077

IUPAC3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1
InChIInChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3
InChIKeyPMFGUFKMTACZHR-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.23
Rot. Bonds4

About 3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine

3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 11280077) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID11280077
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1
InChIInChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3
InChIKeyPMFGUFKMTACZHR-UHFFFAOYSA-N
XLogP4.23
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine (CID 11280077) is 3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine is Cc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is PMFGUFKMTACZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3.
What are the key properties of 3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 367.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 11280077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).