3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C13H17N5O3 — CID 106528260

IUPAC3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCNc1cnc(CN2C(=O)NC3(CCOCC3)C2=O)cn1
InChIInChI=1S/C13H17N5O3/c1-14-10-7-15-9(6-16-10)8-18-11(19)13(17-12(18)20)2-4-21-5-3-13/h6-7H,2-5,8H2,1H3,(H,14,16)(H,17,20)
InChIKeyFIHTWUFMZQOGGA-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.12
Rot. Bonds3

About 3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 106528260) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID106528260
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCNc1cnc(CN2C(=O)NC3(CCOCC3)C2=O)cn1
InChIInChI=1S/C13H17N5O3/c1-14-10-7-15-9(6-16-10)8-18-11(19)13(17-12(18)20)2-4-21-5-3-13/h6-7H,2-5,8H2,1H3,(H,14,16)(H,17,20)
InChIKeyFIHTWUFMZQOGGA-UHFFFAOYSA-N
XLogP0.12
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 106528260) is 3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is CNc1cnc(CN2C(=O)NC3(CCOCC3)C2=O)cn1.
What is the InChIKey of 3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FIHTWUFMZQOGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-14-10-7-15-9(6-16-10)8-18-11(19)13(17-12(18)20)2-4-21-5-3-13/h6-7H,2-5,8H2,1H3,(H,14,16)(H,17,20).
What are the key properties of 3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 291.31 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 106528260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).