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

C16H25N5O2 — CID 97495713

IUPAC4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOCCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C16H25N5O2/c1-19-9-10-21(11-12-23-2)15(22)16(19)3-7-20(8-4-16)14-13-17-5-6-18-14/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyQHIHYWGMOYMQBV-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.24
Rot. Bonds4

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

4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495713) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495713
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOCCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C16H25N5O2/c1-19-9-10-21(11-12-23-2)15(22)16(19)3-7-20(8-4-16)14-13-17-5-6-18-14/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyQHIHYWGMOYMQBV-UHFFFAOYSA-N
XLogP0.24
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495713) is 4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is COCCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O.
What is the InChIKey of 4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is QHIHYWGMOYMQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-19-9-10-21(11-12-23-2)15(22)16(19)3-7-20(8-4-16)14-13-17-5-6-18-14/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 319.41 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).