3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride

C6H5BrClN3O — CID 134690915

IUPAC3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride
SMILESCl.O=c1[nH]ccn2c(Br)ncc12
InChIInChI=1S/C6H4BrN3O.ClH/c7-6-9-3-4-5(11)8-1-2-10(4)6;/h1-3H,(H,8,11);1H
InChIKeyHOILIGUTRBSPAY-UHFFFAOYSA-N
MW250.48 g/mol
LogP1.21
Rot. Bonds

About 3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride

3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride (PubChem CID 134690915) has the molecular formula C6H5BrClN3O and a molecular weight of 250.48 g/mol. Its IUPAC name is 3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride.

Molecular Properties

Compound Name3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride
PubChem CID134690915
Molecular FormulaC6H5BrClN3O
Molecular Weight250.48 g/mol
Exact Mass248.93
IUPAC Name3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride
SMILESCl.O=c1[nH]ccn2c(Br)ncc12
InChIInChI=1S/C6H4BrN3O.ClH/c7-6-9-3-4-5(11)8-1-2-10(4)6;/h1-3H,(H,8,11);1H
InChIKeyHOILIGUTRBSPAY-UHFFFAOYSA-N
XLogP1.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride?
The IUPAC name of 3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride (CID 134690915) is 3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride.
What is the SMILES notation for 3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride?
The canonical SMILES for 3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride is Cl.O=c1[nH]ccn2c(Br)ncc12.
What is the InChIKey of 3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride?
The InChIKey is HOILIGUTRBSPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O.ClH/c7-6-9-3-4-5(11)8-1-2-10(4)6;/h1-3H,(H,8,11);1H.
What are the key properties of 3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride?
3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride has a molecular weight of 250.48 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7H-imidazo[1,5-a]pyrazin-8-one;hydrochloride is sourced from PubChem (CID 134690915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).