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

C22H21N5O2 — CID 127243615

IUPAC3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(-c2cnn3c(-c4cccc(OC5CCCC5)c4)nnc3n2)cc1
InChIInChI=1S/C22H21N5O2/c1-28-17-11-9-15(10-12-17)20-14-23-27-21(25-26-22(27)24-20)16-5-4-8-19(13-16)29-18-6-2-3-7-18/h4-5,8-14,18H,2-3,6-7H2,1H3
InChIKeyFHZGRPLGTABTRO-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.18
Rot. Bonds5

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

3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 127243615) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID127243615
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(-c2cnn3c(-c4cccc(OC5CCCC5)c4)nnc3n2)cc1
InChIInChI=1S/C22H21N5O2/c1-28-17-11-9-15(10-12-17)20-14-23-27-21(25-26-22(27)24-20)16-5-4-8-19(13-16)29-18-6-2-3-7-18/h4-5,8-14,18H,2-3,6-7H2,1H3
InChIKeyFHZGRPLGTABTRO-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-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine with MolForge

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Related Compounds

3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 127243617
3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 117058444
4-(3-cyclopentyloxyphenyl)-1-methylpyrazol-5-amine
CID 117397015
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
(3-methylphenoxy)cyclononane
CID 145391482
7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24830930
1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101390
4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline
CID 66997224
3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152061
4-(3-cyclopropyloxyphenyl)-2-methylphenol
CID 114523617
1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine
CID 23025801
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 127243615) is 3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is COc1ccc(-c2cnn3c(-c4cccc(OC5CCCC5)c4)nnc3n2)cc1.
What is the InChIKey of 3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is FHZGRPLGTABTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-28-17-11-9-15(10-12-17)20-14-23-27-21(25-26-22(27)24-20)16-5-4-8-19(13-16)29-18-6-2-3-7-18/h4-5,8-14,18H,2-3,6-7H2,1H3.
What are the key properties of 3-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
3-(3-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-(3-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 127243615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).