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

C15H23N5O2 — CID 97409523

IUPAC4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(CCO)C(=O)C12CCN(c1cnccn1)CC2
InChIInChI=1S/C15H23N5O2/c1-18-8-9-20(10-11-21)14(22)15(18)2-6-19(7-3-15)13-12-16-4-5-17-13/h4-5,12,21H,2-3,6-11H2,1H3
InChIKeyDBCIOKDNMOMOAR-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.42
Rot. Bonds3

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

4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97409523) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97409523
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(CCO)C(=O)C12CCN(c1cnccn1)CC2
InChIInChI=1S/C15H23N5O2/c1-18-8-9-20(10-11-21)14(22)15(18)2-6-19(7-3-15)13-12-16-4-5-17-13/h4-5,12,21H,2-3,6-11H2,1H3
InChIKeyDBCIOKDNMOMOAR-UHFFFAOYSA-N
XLogP-0.42
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97409523) is 4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is CN1CCN(CCO)C(=O)C12CCN(c1cnccn1)CC2.
What is the InChIKey of 4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is DBCIOKDNMOMOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-18-8-9-20(10-11-21)14(22)15(18)2-6-19(7-3-15)13-12-16-4-5-17-13/h4-5,12,21H,2-3,6-11H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 305.38 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97409523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).