8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one

C14H20N4O — CID 70762560

IUPAC8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cnc(C)c(N2CCC3(CC2)CNC(=O)C3)n1
InChIInChI=1S/C14H20N4O/c1-10-8-15-11(2)13(17-10)18-5-3-14(4-6-18)7-12(19)16-9-14/h8H,3-7,9H2,1-2H3,(H,16,19)
InChIKeyYTVYIMBUBWMZFL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.20
Rot. Bonds1

About 8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one

8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70762560) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70762560
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cnc(C)c(N2CCC3(CC2)CNC(=O)C3)n1
InChIInChI=1S/C14H20N4O/c1-10-8-15-11(2)13(17-10)18-5-3-14(4-6-18)7-12(19)16-9-14/h8H,3-7,9H2,1-2H3,(H,16,19)
InChIKeyYTVYIMBUBWMZFL-UHFFFAOYSA-N
XLogP1.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one (CID 70762560) is 8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one is Cc1cnc(C)c(N2CCC3(CC2)CNC(=O)C3)n1.
What is the InChIKey of 8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YTVYIMBUBWMZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-8-15-11(2)13(17-10)18-5-3-14(4-6-18)7-12(19)16-9-14/h8H,3-7,9H2,1-2H3,(H,16,19).
What are the key properties of 8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 260.34 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,6-dimethylpyrazin-2-yl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70762560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).