3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one

C13H21N3O2 — CID 46231509

IUPAC3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESCC(C)(C)N(CCO)CCC(=O)c1cnccn1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)16(8-9-17)7-4-12(18)11-10-14-5-6-15-11/h5-6,10,17H,4,7-9H2,1-3H3
InChIKeyJOGLYOFBXXBMEG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.14
Rot. Bonds6

About 3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one

3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one (PubChem CID 46231509) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
PubChem CID46231509
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESCC(C)(C)N(CCO)CCC(=O)c1cnccn1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)16(8-9-17)7-4-12(18)11-10-14-5-6-15-11/h5-6,10,17H,4,7-9H2,1-3H3
InChIKeyJOGLYOFBXXBMEG-UHFFFAOYSA-N
XLogP1.14
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-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 3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one (CID 46231509) is 3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one is CC(C)(C)N(CCO)CCC(=O)c1cnccn1.
What is the InChIKey of 3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The InChIKey is JOGLYOFBXXBMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)16(8-9-17)7-4-12(18)11-10-14-5-6-15-11/h5-6,10,17H,4,7-9H2,1-3H3.
What are the key properties of 3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 46231509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).