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

C12H8BrCl2N5 — CID 107794870

IUPAC8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESNc1cn2ccnc2c(Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C12H8BrCl2N5/c13-6-1-2-7(10(15)9(6)14)18-11-12-17-3-4-20(12)5-8(16)19-11/h1-5H,16H2,(H,18,19)
InChIKeyVVYFEGMUGGEBBT-UHFFFAOYSA-N
MW373.04 g/mol
LogP4.12
Rot. Bonds2

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

8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 107794870) has the molecular formula C12H8BrCl2N5 and a molecular weight of 373.04 g/mol. Its IUPAC name is 8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID107794870
Molecular FormulaC12H8BrCl2N5
Molecular Weight373.04 g/mol
Exact Mass370.93
IUPAC Name8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESNc1cn2ccnc2c(Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C12H8BrCl2N5/c13-6-1-2-7(10(15)9(6)14)18-11-12-17-3-4-20(12)5-8(16)19-11/h1-5H,16H2,(H,18,19)
InChIKeyVVYFEGMUGGEBBT-UHFFFAOYSA-N
XLogP4.12
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 107795439
8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80754857
8-N-(2,4-difluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80760380
8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80829555
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile
CID 107801734
8-N-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80788971
8-N-(2-propylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80808245
8-N-(4-ethylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80761933
N-(2,5-dibromophenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80896841
8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80836363
8-N-(2-bromophenyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80761144
8-N-[2-[cyclopropyl(methyl)amino]ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80824349

Frequently Asked Questions

What is the IUPAC name of 8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine (CID 107794870) is 8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine is Nc1cn2ccnc2c(Nc2ccc(Br)c(Cl)c2Cl)n1.
What is the InChIKey of 8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is VVYFEGMUGGEBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N5/c13-6-1-2-7(10(15)9(6)14)18-11-12-17-3-4-20(12)5-8(16)19-11/h1-5H,16H2,(H,18,19).
What are the key properties of 8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 373.04 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 107794870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).