3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole

C19H16N6O2S — CID 150933069

IUPAC3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
SMILESCCOc1cccc2c1c(-c1scnc1C)nn1c(-c3cc(C)on3)nnc21
InChIInChI=1S/C19H16N6O2S/c1-4-26-14-7-5-6-12-15(14)16(17-11(3)20-9-28-17)23-25-18(12)21-22-19(25)13-8-10(2)27-24-13/h5-9H,4H2,1-3H3
InChIKeyLGLAVIURTKIAQH-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.07
Rot. Bonds4

About 3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole

3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 150933069) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
PubChem CID150933069
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
SMILESCCOc1cccc2c1c(-c1scnc1C)nn1c(-c3cc(C)on3)nnc21
InChIInChI=1S/C19H16N6O2S/c1-4-26-14-7-5-6-12-15(14)16(17-11(3)20-9-28-17)23-25-18(12)21-22-19(25)13-8-10(2)27-24-13/h5-9H,4H2,1-3H3
InChIKeyLGLAVIURTKIAQH-UHFFFAOYSA-N
XLogP4.07
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole 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-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole (CID 150933069) is 3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole is CCOc1cccc2c1c(-c1scnc1C)nn1c(-c3cc(C)on3)nnc21.
What is the InChIKey of 3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is LGLAVIURTKIAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-4-26-14-7-5-6-12-15(14)16(17-11(3)20-9-28-17)23-25-18(12)21-22-19(25)13-8-10(2)27-24-13/h5-9H,4H2,1-3H3.
What are the key properties of 3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 392.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 150933069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).