3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane

C14H20ClN3O2 — CID 143744477

IUPAC3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane
SMILESCC.Cc1nc(C2CC(O)(CO)C2)n2ccnc(Cl)c12
InChIInChI=1S/C12H14ClN3O2.C2H6/c1-7-9-10(13)14-2-3-16(9)11(15-7)8-4-12(18,5-8)6-17;1-2/h2-3,8,17-18H,4-6H2,1H3;1-2H3
InChIKeyZXBDSXXDXDBTNQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.32
Rot. Bonds2

About 3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane

3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane (PubChem CID 143744477) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane.

Molecular Properties

Compound Name3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane
PubChem CID143744477
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane
SMILESCC.Cc1nc(C2CC(O)(CO)C2)n2ccnc(Cl)c12
InChIInChI=1S/C12H14ClN3O2.C2H6/c1-7-9-10(13)14-2-3-16(9)11(15-7)8-4-12(18,5-8)6-17;1-2/h2-3,8,17-18H,4-6H2,1H3;1-2H3
InChIKeyZXBDSXXDXDBTNQ-UHFFFAOYSA-N
XLogP2.32
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane?
The IUPAC name of 3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane (CID 143744477) is 3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane.
What is the SMILES notation for 3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane?
The canonical SMILES for 3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane is CC.Cc1nc(C2CC(O)(CO)C2)n2ccnc(Cl)c12.
What is the InChIKey of 3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane?
The InChIKey is ZXBDSXXDXDBTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2.C2H6/c1-7-9-10(13)14-2-3-16(9)11(15-7)8-4-12(18,5-8)6-17;1-2/h2-3,8,17-18H,4-6H2,1H3;1-2H3.
What are the key properties of 3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane?
3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane has a molecular weight of 297.79 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane is sourced from PubChem (CID 143744477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).