8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one

C13H19N5O — CID 154564222

IUPAC8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCN(c1cncc(N)n1)CC2
InChIInChI=1S/C13H19N5O/c1-17-12(19)2-3-13(17)4-6-18(7-5-13)11-9-15-8-10(14)16-11/h8-9H,2-7H2,1H3,(H2,14,16)
InChIKeyQHJCOZIOGIKXLT-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.65
Rot. Bonds1

About 8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one

8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 154564222) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID154564222
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCN(c1cncc(N)n1)CC2
InChIInChI=1S/C13H19N5O/c1-17-12(19)2-3-13(17)4-6-18(7-5-13)11-9-15-8-10(14)16-11/h8-9H,2-7H2,1H3,(H2,14,16)
InChIKeyQHJCOZIOGIKXLT-UHFFFAOYSA-N
XLogP0.65
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one (CID 154564222) is 8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CCC12CCN(c1cncc(N)n1)CC2.
What is the InChIKey of 8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is QHJCOZIOGIKXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-17-12(19)2-3-13(17)4-6-18(7-5-13)11-9-15-8-10(14)16-11/h8-9H,2-7H2,1H3,(H2,14,16).
What are the key properties of 8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 261.33 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 154564222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).