1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C9H14BrN3 — CID 167225410

IUPAC1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)N1CCn2cnc(Br)c2C1
InChIInChI=1S/C9H14BrN3/c1-7(2)12-3-4-13-6-11-9(10)8(13)5-12/h6-7H,3-5H2,1-2H3
InChIKeyYCXUJRUKWPVVGJ-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.87
Rot. Bonds1

About 1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 167225410) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID167225410
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)N1CCn2cnc(Br)c2C1
InChIInChI=1S/C9H14BrN3/c1-7(2)12-3-4-13-6-11-9(10)8(13)5-12/h6-7H,3-5H2,1-2H3
InChIKeyYCXUJRUKWPVVGJ-UHFFFAOYSA-N
XLogP1.87
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 167225410) is 1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CC(C)N1CCn2cnc(Br)c2C1.
What is the InChIKey of 1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is YCXUJRUKWPVVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-7(2)12-3-4-13-6-11-9(10)8(13)5-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 244.14 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 167225410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).