3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol

C11H13IN4O2 — CID 67035257

IUPAC3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)(CO)C3)nc(I)c12
InChIInChI=1S/C11H13IN4O2/c12-8-7-9(13)14-1-2-16(7)10(15-8)6-3-11(18,4-6)5-17/h1-2,6,17-18H,3-5H2,(H2,13,14)
InChIKeyXYPFOPIMWJEGTM-UHFFFAOYSA-N
MW360.16 g/mol
LogP0.52
Rot. Bonds2

About 3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol

3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol (PubChem CID 67035257) has the molecular formula C11H13IN4O2 and a molecular weight of 360.16 g/mol. Its IUPAC name is 3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol
PubChem CID67035257
Molecular FormulaC11H13IN4O2
Molecular Weight360.16 g/mol
Exact Mass360.01
IUPAC Name3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)(CO)C3)nc(I)c12
InChIInChI=1S/C11H13IN4O2/c12-8-7-9(13)14-1-2-16(7)10(15-8)6-3-11(18,4-6)5-17/h1-2,6,17-18H,3-5H2,(H2,13,14)
InChIKeyXYPFOPIMWJEGTM-UHFFFAOYSA-N
XLogP0.52
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol
CID 20667423
[3-(2-Aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 21624246
3-Cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine
CID 42609365
3-(8-Chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol
CID 53328620
cis-3-(8-Amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol
CID 53328623
3-(8-Amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol
CID 53328977
(3-(8-Amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl)methanol
CID 57680968
3-(8-Chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutanol
CID 57680987
(3-(8-Chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutyl)methanol
CID 57681011
trans-[4-(8-Amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]methanol
CID 57681019
[3-(8-Chloro-1-iodo-imidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-methanol
CID 57681020
3-(8-Chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutanol
CID 57681055

Frequently Asked Questions

What is the IUPAC name of 3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol?
The IUPAC name of 3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol (CID 67035257) is 3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol is Nc1nccn2c(C3CC(O)(CO)C3)nc(I)c12.
What is the InChIKey of 3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol?
The InChIKey is XYPFOPIMWJEGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN4O2/c12-8-7-9(13)14-1-2-16(7)10(15-8)6-3-11(18,4-6)5-17/h1-2,6,17-18H,3-5H2,(H2,13,14).
What are the key properties of 3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol?
3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol has a molecular weight of 360.16 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol is sourced from PubChem (CID 67035257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).