4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole

C10H9N3O2 — CID 147188821

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole
SMILESc1cc2c(cc1-c1cn[nH]n1)OCCO2
InChIInChI=1S/C10H9N3O2/c1-2-9-10(15-4-3-14-9)5-7(1)8-6-11-13-12-8/h1-2,5-6H,3-4H2,(H,11,12,13)
InChIKeyCBAMYHGWDMMZFX-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.24
Rot. Bonds1

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole (PubChem CID 147188821) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole
PubChem CID147188821
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole
SMILESc1cc2c(cc1-c1cn[nH]n1)OCCO2
InChIInChI=1S/C10H9N3O2/c1-2-9-10(15-4-3-14-9)5-7(1)8-6-11-13-12-8/h1-2,5-6H,3-4H2,(H,11,12,13)
InChIKeyCBAMYHGWDMMZFX-UHFFFAOYSA-N
XLogP1.24
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2H-triazole
CID 164900430
2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile
CID 117001960
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole
CID 82127137
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole
CID 67816809
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol
CID 65017848
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 72837194
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965872
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazole
CID 82115637

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole (CID 147188821) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole is c1cc2c(cc1-c1cn[nH]n1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole?
The InChIKey is CBAMYHGWDMMZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-2-9-10(15-4-3-14-9)5-7(1)8-6-11-13-12-8/h1-2,5-6H,3-4H2,(H,11,12,13).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole has a molecular weight of 203.20 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole is sourced from PubChem (CID 147188821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).