1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole

C17H22N4O3 — CID 131916591

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESCOCCN1CCC(c2ncnn2-c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C17H22N4O3/c1-22-7-6-20-5-4-13(11-20)17-18-12-19-21(17)14-2-3-15-16(10-14)24-9-8-23-15/h2-3,10,12-13H,4-9,11H2,1H3
InChIKeyCXFOTDFGOFFPDY-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.47
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole (PubChem CID 131916591) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole
PubChem CID131916591
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESCOCCN1CCC(c2ncnn2-c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C17H22N4O3/c1-22-7-6-20-5-4-13(11-20)17-18-12-19-21(17)14-2-3-15-16(10-14)24-9-8-23-15/h2-3,10,12-13H,4-9,11H2,1H3
InChIKeyCXFOTDFGOFFPDY-UHFFFAOYSA-N
XLogP1.47
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]-4-methylpiperazin-1-yl]-2-methoxyethanone
CID 97122519
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964843
2-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 125006103
(5R)-5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 164688937
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyrimidin-5-ylpyrrolidin-1-yl)propan-1-one
CID 178137392
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 164642640
(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 71040970
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
CID 146039708
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 72838298
ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 125171295
5-[[(3R)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95132668

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole (CID 131916591) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole is COCCN1CCC(c2ncnn2-c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The InChIKey is CXFOTDFGOFFPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-22-7-6-20-5-4-13(11-20)17-18-12-19-21(17)14-2-3-15-16(10-14)24-9-8-23-15/h2-3,10,12-13H,4-9,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole has a molecular weight of 330.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole is sourced from PubChem (CID 131916591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).