2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol

C12H15BrN4O — CID 79164369

IUPAC2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol
SMILESOC(CNCc1cnc2cnc(Br)cn12)C1CC1
InChIInChI=1S/C12H15BrN4O/c13-11-7-17-9(4-16-12(17)6-15-11)3-14-5-10(18)8-1-2-8/h4,6-8,10,14,18H,1-3,5H2
InChIKeyUFDLGXXNIWLFHV-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.35
Rot. Bonds5

About 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol

2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol (PubChem CID 79164369) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol
PubChem CID79164369
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol
SMILESOC(CNCc1cnc2cnc(Br)cn12)C1CC1
InChIInChI=1S/C12H15BrN4O/c13-11-7-17-9(4-16-12(17)6-15-11)3-14-5-10(18)8-1-2-8/h4,6-8,10,14,18H,1-3,5H2
InChIKeyUFDLGXXNIWLFHV-UHFFFAOYSA-N
XLogP1.35
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol (CID 79164369) is 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol is OC(CNCc1cnc2cnc(Br)cn12)C1CC1.
What is the InChIKey of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol?
The InChIKey is UFDLGXXNIWLFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c13-11-7-17-9(4-16-12(17)6-15-11)3-14-5-10(18)8-1-2-8/h4,6-8,10,14,18H,1-3,5H2.
What are the key properties of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol?
2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol has a molecular weight of 311.18 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 79164369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).