4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one

C15H23N5O — CID 97495681

IUPAC4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C15H23N5O/c1-3-19-11-10-18(2)15(14(19)21)4-8-20(9-5-15)13-12-16-6-7-17-13/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyMOWMPBHEZKHOAT-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.61
Rot. Bonds2

About 4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one

4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495681) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495681
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C15H23N5O/c1-3-19-11-10-18(2)15(14(19)21)4-8-20(9-5-15)13-12-16-6-7-17-13/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyMOWMPBHEZKHOAT-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one 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 4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495681) is 4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is CCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O.
What is the InChIKey of 4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is MOWMPBHEZKHOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-19-11-10-18(2)15(14(19)21)4-8-20(9-5-15)13-12-16-6-7-17-13/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 289.38 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).