N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C13H20BrN5O — CID 79164804

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H20BrN5O/c1-18(5-6-20-2)4-3-15-7-11-8-17-13-9-16-12(14)10-19(11)13/h8-10,15H,3-7H2,1-2H3
InChIKeyZTJIFHMYMQWCTJ-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.16
Rot. Bonds8

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 79164804) has the molecular formula C13H20BrN5O and a molecular weight of 342.24 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID79164804
Molecular FormulaC13H20BrN5O
Molecular Weight342.24 g/mol
Exact Mass341.09
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H20BrN5O/c1-18(5-6-20-2)4-3-15-7-11-8-17-13-9-16-12(14)10-19(11)13/h8-10,15H,3-7H2,1-2H3
InChIKeyZTJIFHMYMQWCTJ-UHFFFAOYSA-N
XLogP1.16
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 79164804) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNCc1cnc2cnc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is ZTJIFHMYMQWCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5O/c1-18(5-6-20-2)4-3-15-7-11-8-17-13-9-16-12(14)10-19(11)13/h8-10,15H,3-7H2,1-2H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 342.24 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79164804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).