2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine

C13H9N3O2 — CID 113428335

IUPAC2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine
SMILESc1cn2cc(-c3ccc4c(c3)OCO4)nc2cn1
InChIInChI=1S/C13H9N3O2/c1-2-11-12(18-8-17-11)5-9(1)10-7-16-4-3-14-6-13(16)15-10/h1-7H,8H2
InChIKeyIOIMDUCQFOMBJH-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.12
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine

2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine (PubChem CID 113428335) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine
PubChem CID113428335
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine
SMILESc1cn2cc(-c3ccc4c(c3)OCO4)nc2cn1
InChIInChI=1S/C13H9N3O2/c1-2-11-12(18-8-17-11)5-9(1)10-7-16-4-3-14-6-13(16)15-10/h1-7H,8H2
InChIKeyIOIMDUCQFOMBJH-UHFFFAOYSA-N
XLogP2.12
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine
CID 15749997
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 82064342
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine
CID 2812399
5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine
CID 21066363
6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646923
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 7214219
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine
CID 83918221
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane
CID 157257379
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine
CID 146316041
6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
CID 4645289

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine (CID 113428335) is 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine is c1cn2cc(-c3ccc4c(c3)OCO4)nc2cn1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine?
The InChIKey is IOIMDUCQFOMBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c1-2-11-12(18-8-17-11)5-9(1)10-7-16-4-3-14-6-13(16)15-10/h1-7H,8H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine?
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine has a molecular weight of 239.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 113428335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).