9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane

C17H28N4O — CID 133455125

IUPAC9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC(C)Oc1nccnc1N1CCC2CCC(C1)N2C(C)C
InChIInChI=1S/C17H28N4O/c1-12(2)21-14-5-6-15(21)11-20(10-7-14)16-17(22-13(3)4)19-9-8-18-16/h8-9,12-15H,5-7,10-11H2,1-4H3
InChIKeyRWAXCUVXKGRGBX-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.72
Rot. Bonds4

About 9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane

9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 133455125) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID133455125
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC(C)Oc1nccnc1N1CCC2CCC(C1)N2C(C)C
InChIInChI=1S/C17H28N4O/c1-12(2)21-14-5-6-15(21)11-20(10-7-14)16-17(22-13(3)4)19-9-8-18-16/h8-9,12-15H,5-7,10-11H2,1-4H3
InChIKeyRWAXCUVXKGRGBX-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane (CID 133455125) is 9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane is CC(C)Oc1nccnc1N1CCC2CCC(C1)N2C(C)C.
What is the InChIKey of 9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is RWAXCUVXKGRGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)21-14-5-6-15(21)11-20(10-7-14)16-17(22-13(3)4)19-9-8-18-16/h8-9,12-15H,5-7,10-11H2,1-4H3.
What are the key properties of 9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 304.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 133455125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).