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

C11H15BrN4O — CID 83176314

IUPAC3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C11H15BrN4O/c1-8(2-3-17)13-4-9-5-15-11-6-14-10(12)7-16(9)11/h5-8,13,17H,2-4H2,1H3
InChIKeyMJGMGNSGFQRDPL-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.35
Rot. Bonds5

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

3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol (PubChem CID 83176314) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol
PubChem CID83176314
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C11H15BrN4O/c1-8(2-3-17)13-4-9-5-15-11-6-14-10(12)7-16(9)11/h5-8,13,17H,2-4H2,1H3
InChIKeyMJGMGNSGFQRDPL-UHFFFAOYSA-N
XLogP1.35
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol?
The IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol (CID 83176314) is 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol is CC(CCO)NCc1cnc2cnc(Br)cn12.
What is the InChIKey of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol?
The InChIKey is MJGMGNSGFQRDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-8(2-3-17)13-4-9-5-15-11-6-14-10(12)7-16(9)11/h5-8,13,17H,2-4H2,1H3.
What are the key properties of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol?
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol has a molecular weight of 299.17 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 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 83176314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).