N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide

C14H13N5O4 — CID 135636003

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ncnn21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13N5O4/c20-12(6-9-13(21)18-14-15-7-16-19(9)14)17-8-1-2-10-11(5-8)23-4-3-22-10/h1-2,5,7,9H,3-4,6H2,(H,17,20)(H,15,16,18,21)
InChIKeySQLRWZLFBSBHJO-UHFFFAOYSA-N
MW315.29 g/mol
LogP0.57
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (PubChem CID 135636003) has the molecular formula C14H13N5O4 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
PubChem CID135636003
Molecular FormulaC14H13N5O4
Molecular Weight315.29 g/mol
Exact Mass315.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ncnn21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13N5O4/c20-12(6-9-13(21)18-14-15-7-16-19(9)14)17-8-1-2-10-11(5-8)23-4-3-22-10/h1-2,5,7,9H,3-4,6H2,(H,17,20)(H,15,16,18,21)
InChIKeySQLRWZLFBSBHJO-UHFFFAOYSA-N
XLogP0.57
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (CID 135636003) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is O=C(CC1C(=O)Nc2ncnn21)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The InChIKey is SQLRWZLFBSBHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4/c20-12(6-9-13(21)18-14-15-7-16-19(9)14)17-8-1-2-10-11(5-8)23-4-3-22-10/h1-2,5,7,9H,3-4,6H2,(H,17,20)(H,15,16,18,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide has a molecular weight of 315.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is sourced from PubChem (CID 135636003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).