6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine

C17H18N4O2 — CID 95833368

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine
SMILESCCc1nc2nc(-c3ccc4c(c3)OCCO4)cn2nc1CC
InChIInChI=1S/C17H18N4O2/c1-3-12-13(4-2)20-21-10-14(19-17(21)18-12)11-5-6-15-16(9-11)23-8-7-22-15/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyQKQJFVZGIQCYML-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.69
Rot. Bonds3

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine (PubChem CID 95833368) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine
PubChem CID95833368
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine
SMILESCCc1nc2nc(-c3ccc4c(c3)OCCO4)cn2nc1CC
InChIInChI=1S/C17H18N4O2/c1-3-12-13(4-2)20-21-10-14(19-17(21)18-12)11-5-6-15-16(9-11)23-8-7-22-15/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyQKQJFVZGIQCYML-UHFFFAOYSA-N
XLogP2.69
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine (CID 95833368) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine is CCc1nc2nc(-c3ccc4c(c3)OCCO4)cn2nc1CC.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine?
The InChIKey is QKQJFVZGIQCYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-12-13(4-2)20-21-10-14(19-17(21)18-12)11-5-6-15-16(9-11)23-8-7-22-15/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine has a molecular weight of 310.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 95833368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).