3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C22H21N5O2 — CID 127243617

IUPAC3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(-c2cnn3c(-c4ccccc4OC4CCCC4)nnc3n2)cc1
InChIInChI=1S/C22H21N5O2/c1-28-16-12-10-15(11-13-16)19-14-23-27-21(25-26-22(27)24-19)18-8-4-5-9-20(18)29-17-6-2-3-7-17/h4-5,8-14,17H,2-3,6-7H2,1H3
InChIKeyOODRFYOIKUWRJZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.18
Rot. Bonds5

About 3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine

3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 127243617) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID127243617
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(-c2cnn3c(-c4ccccc4OC4CCCC4)nnc3n2)cc1
InChIInChI=1S/C22H21N5O2/c1-28-16-12-10-15(11-13-16)19-14-23-27-21(25-26-22(27)24-19)18-8-4-5-9-20(18)29-17-6-2-3-7-17/h4-5,8-14,17H,2-3,6-7H2,1H3
InChIKeyOODRFYOIKUWRJZ-UHFFFAOYSA-N
XLogP4.18
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine with MolForge

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Related Compounds

3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 127243615
3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 117058444
7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24830930
3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 3070752
2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide
CID 21239826
3-(2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932926
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole
CID 142221430
1,2-dicyclohexyloxybenzene
CID 67331328
3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289457
3-methoxy-2-[4-(2-methoxyphenoxy)piperidin-1-yl]-6-methylpyridine
CID 146038169

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 127243617) is 3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is COc1ccc(-c2cnn3c(-c4ccccc4OC4CCCC4)nnc3n2)cc1.
What is the InChIKey of 3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is OODRFYOIKUWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-28-16-12-10-15(11-13-16)19-14-23-27-21(25-26-22(27)24-19)18-8-4-5-9-20(18)29-17-6-2-3-7-17/h4-5,8-14,17H,2-3,6-7H2,1H3.
What are the key properties of 3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 387.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 127243617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).