3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane

C11H16N4O — CID 44599674

IUPAC3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC2CN(c3cnccn3)CC(C1)O2
InChIInChI=1S/C11H16N4O/c1-14-5-9-7-15(8-10(6-14)16-9)11-4-12-2-3-13-11/h2-4,9-10H,5-8H2,1H3
InChIKeyIWERQOLLUADVMX-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.00
Rot. Bonds1

About 3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane

3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 44599674) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
PubChem CID44599674
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC2CN(c3cnccn3)CC(C1)O2
InChIInChI=1S/C11H16N4O/c1-14-5-9-7-15(8-10(6-14)16-9)11-4-12-2-3-13-11/h2-4,9-10H,5-8H2,1H3
InChIKeyIWERQOLLUADVMX-UHFFFAOYSA-N
XLogP-0.00
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane (CID 44599674) is 3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane is CN1CC2CN(c3cnccn3)CC(C1)O2.
What is the InChIKey of 3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is IWERQOLLUADVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-14-5-9-7-15(8-10(6-14)16-9)11-4-12-2-3-13-11/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 220.28 g/mol, XLogP of -0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 44599674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).