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

C17H28N6O — CID 97495706

IUPAC4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN(C)CCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C17H28N6O/c1-20(2)10-12-23-13-11-21(3)17(16(23)24)4-8-22(9-5-17)15-14-18-6-7-19-15/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyCTIDTCCEBGPQOR-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.15
Rot. Bonds4

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

4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495706) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495706
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN(C)CCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C17H28N6O/c1-20(2)10-12-23-13-11-21(3)17(16(23)24)4-8-22(9-5-17)15-14-18-6-7-19-15/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyCTIDTCCEBGPQOR-UHFFFAOYSA-N
XLogP0.15
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495706) is 4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is CN(C)CCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is CTIDTCCEBGPQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-20(2)10-12-23-13-11-21(3)17(16(23)24)4-8-22(9-5-17)15-14-18-6-7-19-15/h6-7,14H,4-5,8-13H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 332.45 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).