5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C18H13N5O3 — CID 74221891

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc3c(c2)OCCO3)nc2nc(-c3ccccn3)[nH]n12
InChIInChI=1S/C18H13N5O3/c24-16-10-13(11-4-5-14-15(9-11)26-8-7-25-14)20-18-21-17(22-23(16)18)12-3-1-2-6-19-12/h1-6,9-10H,7-8H2,(H,20,21,22)
InChIKeyDXZLJVLYHGIQAO-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.92
Rot. Bonds2

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 74221891) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID74221891
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc3c(c2)OCCO3)nc2nc(-c3ccccn3)[nH]n12
InChIInChI=1S/C18H13N5O3/c24-16-10-13(11-4-5-14-15(9-11)26-8-7-25-14)20-18-21-17(22-23(16)18)12-3-1-2-6-19-12/h1-6,9-10H,7-8H2,(H,20,21,22)
InChIKeyDXZLJVLYHGIQAO-UHFFFAOYSA-N
XLogP1.92
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 74221891) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc3c(c2)OCCO3)nc2nc(-c3ccccn3)[nH]n12.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DXZLJVLYHGIQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c24-16-10-13(11-4-5-14-15(9-11)26-8-7-25-14)20-18-21-17(22-23(16)18)12-3-1-2-6-19-12/h1-6,9-10H,7-8H2,(H,20,21,22).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 347.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 74221891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).