3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol

C9H11ClN4O — CID 84690769

IUPAC3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol
SMILESNCCC(O)c1cnc2cnc(Cl)cn12
InChIInChI=1S/C9H11ClN4O/c10-8-5-14-6(7(15)1-2-11)3-13-9(14)4-12-8/h3-5,7,15H,1-2,11H2
InChIKeyPMZKXCUWCRJPHX-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.76
Rot. Bonds3

About 3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol

3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol (PubChem CID 84690769) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol
PubChem CID84690769
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol
SMILESNCCC(O)c1cnc2cnc(Cl)cn12
InChIInChI=1S/C9H11ClN4O/c10-8-5-14-6(7(15)1-2-11)3-13-9(14)4-12-8/h3-5,7,15H,1-2,11H2
InChIKeyPMZKXCUWCRJPHX-UHFFFAOYSA-N
XLogP0.76
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol (CID 84690769) is 3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol is NCCC(O)c1cnc2cnc(Cl)cn12.
What is the InChIKey of 3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol?
The InChIKey is PMZKXCUWCRJPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c10-8-5-14-6(7(15)1-2-11)3-13-9(14)4-12-8/h3-5,7,15H,1-2,11H2.
What are the key properties of 3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol?
3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol has a molecular weight of 226.67 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol is sourced from PubChem (CID 84690769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).