N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine

C13H19BrN4 — CID 79163928

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H19BrN4/c1-10(2)4-3-5-15-6-11-7-17-13-8-16-12(14)9-18(11)13/h7-10,15H,3-6H2,1-2H3
InChIKeyZNENUFVZVOQSAK-UHFFFAOYSA-N
MW311.23 g/mol
LogP3.02
Rot. Bonds6

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine (PubChem CID 79163928) has the molecular formula C13H19BrN4 and a molecular weight of 311.23 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine
PubChem CID79163928
Molecular FormulaC13H19BrN4
Molecular Weight311.23 g/mol
Exact Mass310.08
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H19BrN4/c1-10(2)4-3-5-15-6-11-7-17-13-8-16-12(14)9-18(11)13/h7-10,15H,3-6H2,1-2H3
InChIKeyZNENUFVZVOQSAK-UHFFFAOYSA-N
XLogP3.02
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-4-methylpentan-1-amine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine (CID 79163928) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine is CC(C)CCCNCc1cnc2cnc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine?
The InChIKey is ZNENUFVZVOQSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4/c1-10(2)4-3-5-15-6-11-7-17-13-8-16-12(14)9-18(11)13/h7-10,15H,3-6H2,1-2H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine has a molecular weight of 311.23 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 79163928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).