chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol

C11H12ClN3O — CID 67078305

IUPACchloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol
SMILESOC(Cl)(c1ncc2cnccn12)C1CCC1
InChIInChI=1S/C11H12ClN3O/c12-11(16,8-2-1-3-8)10-14-7-9-6-13-4-5-15(9)10/h4-8,16H,1-3H2
InChIKeyCEXNIVQFXOLESL-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.91
Rot. Bonds2

About chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol

chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol (PubChem CID 67078305) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol.

Molecular Properties

Compound Namechloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol
PubChem CID67078305
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Namechloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol
SMILESOC(Cl)(c1ncc2cnccn12)C1CCC1
InChIInChI=1S/C11H12ClN3O/c12-11(16,8-2-1-3-8)10-14-7-9-6-13-4-5-15(9)10/h4-8,16H,1-3H2
InChIKeyCEXNIVQFXOLESL-UHFFFAOYSA-N
XLogP1.91
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol?
The IUPAC name of chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol (CID 67078305) is chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol.
What is the SMILES notation for chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol?
The canonical SMILES for chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol is OC(Cl)(c1ncc2cnccn12)C1CCC1.
What is the InChIKey of chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol?
The InChIKey is CEXNIVQFXOLESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-11(16,8-2-1-3-8)10-14-7-9-6-13-4-5-15(9)10/h4-8,16H,1-3H2.
What are the key properties of chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol?
chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol has a molecular weight of 237.69 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-cyclobutyl-imidazo[1,5-a]pyrazin-3-ylmethanol is sourced from PubChem (CID 67078305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).