9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane

C14H22N4 — CID 97393772

IUPAC9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CCCN(c3cnccn3)C2)CC1
InChIInChI=1S/C14H22N4/c1-17-9-4-14(5-10-17)3-2-8-18(12-14)13-11-15-6-7-16-13/h6-7,11H,2-5,8-10,12H2,1H3
InChIKeyWYXJQUVNQHLLFH-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.79
Rot. Bonds1

About 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane

9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 97393772) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID97393772
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CCCN(c3cnccn3)C2)CC1
InChIInChI=1S/C14H22N4/c1-17-9-4-14(5-10-17)3-2-8-18(12-14)13-11-15-6-7-16-13/h6-7,11H,2-5,8-10,12H2,1H3
InChIKeyWYXJQUVNQHLLFH-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane (CID 97393772) is 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane is CN1CCC2(CCCN(c3cnccn3)C2)CC1.
What is the InChIKey of 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is WYXJQUVNQHLLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-17-9-4-14(5-10-17)3-2-8-18(12-14)13-11-15-6-7-16-13/h6-7,11H,2-5,8-10,12H2,1H3.
What are the key properties of 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane?
9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 246.36 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97393772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).