6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one

C9H11BrN4O — CID 145178872

IUPAC6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC(C)(N)c1cn2c(Br)ncc2c(=O)[nH]1
InChIInChI=1S/C9H11BrN4O/c1-9(2,11)6-4-14-5(7(15)13-6)3-12-8(14)10/h3-4H,11H2,1-2H3,(H,13,15)
InChIKeyYEHYWPBMVBSJJT-UHFFFAOYSA-N
MW271.12 g/mol
LogP0.98
Rot. Bonds1

About 6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one

6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 145178872) has the molecular formula C9H11BrN4O and a molecular weight of 271.12 g/mol. Its IUPAC name is 6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID145178872
Molecular FormulaC9H11BrN4O
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC(C)(N)c1cn2c(Br)ncc2c(=O)[nH]1
InChIInChI=1S/C9H11BrN4O/c1-9(2,11)6-4-14-5(7(15)13-6)3-12-8(14)10/h3-4H,11H2,1-2H3,(H,13,15)
InChIKeyYEHYWPBMVBSJJT-UHFFFAOYSA-N
XLogP0.98
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one (CID 145178872) is 6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one is CC(C)(N)c1cn2c(Br)ncc2c(=O)[nH]1.
What is the InChIKey of 6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is YEHYWPBMVBSJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O/c1-9(2,11)6-4-14-5(7(15)13-6)3-12-8(14)10/h3-4H,11H2,1-2H3,(H,13,15).
What are the key properties of 6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one?
6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 271.12 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropan-2-yl)-3-bromo-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 145178872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).