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

C13H17BrN4O — CID 79163923

IUPAC3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCCC(NCc2cnc3cnc(Br)cn23)C1
InChIInChI=1S/C13H17BrN4O/c14-12-8-18-10(6-17-13(18)7-16-12)5-15-9-2-1-3-11(19)4-9/h6-9,11,15,19H,1-5H2
InChIKeyUCTIMDITDUOEPP-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.88
Rot. Bonds3

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

3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol (PubChem CID 79163923) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol
PubChem CID79163923
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCCC(NCc2cnc3cnc(Br)cn23)C1
InChIInChI=1S/C13H17BrN4O/c14-12-8-18-10(6-17-13(18)7-16-12)5-15-9-2-1-3-11(19)4-9/h6-9,11,15,19H,1-5H2
InChIKeyUCTIMDITDUOEPP-UHFFFAOYSA-N
XLogP1.88
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.88
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]cyclohexan-1-ol?
The IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol (CID 79163923) is 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol is OC1CCCC(NCc2cnc3cnc(Br)cn23)C1.
What is the InChIKey of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol?
The InChIKey is UCTIMDITDUOEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c14-12-8-18-10(6-17-13(18)7-16-12)5-15-9-2-1-3-11(19)4-9/h6-9,11,15,19H,1-5H2.
What are the key properties of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol?
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol has a molecular weight of 325.21 g/mol, XLogP of 1.88, 3 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]cyclohexan-1-ol is sourced from PubChem (CID 79163923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).