3-bromoimidazo[1,5-a]pyrazin-8-amine

C6H5BrN4 — CID 175669311

IUPAC3-bromoimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(Br)ncc12
InChIInChI=1S/C6H5BrN4/c7-6-10-3-4-5(8)9-1-2-11(4)6/h1-3H,(H2,8,9)
InChIKeyORRVLXJIKCQEQB-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.07
Rot. Bonds

About 3-bromoimidazo[1,5-a]pyrazin-8-amine

3-bromoimidazo[1,5-a]pyrazin-8-amine (PubChem CID 175669311) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 3-bromoimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-bromoimidazo[1,5-a]pyrazin-8-amine
PubChem CID175669311
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name3-bromoimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(Br)ncc12
InChIInChI=1S/C6H5BrN4/c7-6-10-3-4-5(8)9-1-2-11(4)6/h1-3H,(H2,8,9)
InChIKeyORRVLXJIKCQEQB-UHFFFAOYSA-N
XLogP1.07
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-bromoimidazo[1,5-a]pyrazin-8-amine (CID 175669311) is 3-bromoimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-bromoimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-bromoimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(Br)ncc12.
What is the InChIKey of 3-bromoimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ORRVLXJIKCQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c7-6-10-3-4-5(8)9-1-2-11(4)6/h1-3H,(H2,8,9).
What are the key properties of 3-bromoimidazo[1,5-a]pyrazin-8-amine?
3-bromoimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 213.04 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 175669311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).