8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine

C13H12BrN5 — CID 80829555

IUPAC8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCc1ccc(Nc2nc(N)cn3ccnc23)cc1Br
InChIInChI=1S/C13H12BrN5/c1-8-2-3-9(6-10(8)14)17-12-13-16-4-5-19(13)7-11(15)18-12/h2-7H,15H2,1H3,(H,17,18)
InChIKeySUZTYILVXNEILP-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.13
Rot. Bonds2

About 8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine

8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80829555) has the molecular formula C13H12BrN5 and a molecular weight of 318.18 g/mol. Its IUPAC name is 8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80829555
Molecular FormulaC13H12BrN5
Molecular Weight318.18 g/mol
Exact Mass317.03
IUPAC Name8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCc1ccc(Nc2nc(N)cn3ccnc23)cc1Br
InChIInChI=1S/C13H12BrN5/c1-8-2-3-9(6-10(8)14)17-12-13-16-4-5-19(13)7-11(15)18-12/h2-7H,15H2,1H3,(H,17,18)
InChIKeySUZTYILVXNEILP-UHFFFAOYSA-N
XLogP3.13
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine (CID 80829555) is 8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine is Cc1ccc(Nc2nc(N)cn3ccnc23)cc1Br.
What is the InChIKey of 8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is SUZTYILVXNEILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5/c1-8-2-3-9(6-10(8)14)17-12-13-16-4-5-19(13)7-11(15)18-12/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of 8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 318.18 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80829555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).