3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one

C16H26N4O — CID 62927609

IUPAC3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCNC3(CCC3)C2)c1=O
InChIInChI=1S/C16H26N4O/c1-12(2)11-20-9-8-17-14(15(20)21)19-13-4-7-18-16(10-13)5-3-6-16/h8-9,12-13,18H,3-7,10-11H2,1-2H3,(H,17,19)
InChIKeyVANHRVVLCUMTAD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds4

About 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one

3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62927609) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62927609
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCNC3(CCC3)C2)c1=O
InChIInChI=1S/C16H26N4O/c1-12(2)11-20-9-8-17-14(15(20)21)19-13-4-7-18-16(10-13)5-3-6-16/h8-9,12-13,18H,3-7,10-11H2,1-2H3,(H,17,19)
InChIKeyVANHRVVLCUMTAD-UHFFFAOYSA-N
XLogP1.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 62927609) is 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NC2CCNC3(CCC3)C2)c1=O.
What is the InChIKey of 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is VANHRVVLCUMTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)11-20-9-8-17-14(15(20)21)19-13-4-7-18-16(10-13)5-3-6-16/h8-9,12-13,18H,3-7,10-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 290.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62927609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).