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

C13H21N3O2 — CID 46231511

IUPAC3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESCCCCN(CCO)CCC(=O)c1cnccn1
InChIInChI=1S/C13H21N3O2/c1-2-3-7-16(9-10-17)8-4-13(18)12-11-14-5-6-15-12/h5-6,11,17H,2-4,7-10H2,1H3
InChIKeyWQXRWWQZZFKINP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.14
Rot. Bonds9

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

3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one (PubChem CID 46231511) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
PubChem CID46231511
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESCCCCN(CCO)CCC(=O)c1cnccn1
InChIInChI=1S/C13H21N3O2/c1-2-3-7-16(9-10-17)8-4-13(18)12-11-14-5-6-15-12/h5-6,11,17H,2-4,7-10H2,1H3
InChIKeyWQXRWWQZZFKINP-UHFFFAOYSA-N
XLogP1.14
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

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Related Compounds

1-(3-Ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
CID 46231454
3-[2-Hydroxyethyl(methyl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231508
3-[Tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231509
N,N-bis(2-hydroxyethyl)aminoethyl-2-pyrazylketone
CID 46231510
3-[2-Hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231512
3-[Bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one
CID 46231453
1-(Pyrazin-2-yl)butan-1-one
CID 316819
1-(Pyrazin-2-yl)propan-1-one
CID 546029
1-(5-Isobutyl-2-pyrazinyl)-1-propanone
CID 591556
1,1'-(Pyrazine-2,5-diyl)di(ethan-1-one)
CID 14323476
2-Methyl-1-(pyrazin-2-yl)propan-1-one
CID 538058
1-(2-Pyrazinyl)-2,2-dimethylpropanone
CID 546031

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one (CID 46231511) is 3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one is CCCCN(CCO)CCC(=O)c1cnccn1.
What is the InChIKey of 3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The InChIKey is WQXRWWQZZFKINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-3-7-16(9-10-17)8-4-13(18)12-11-14-5-6-15-12/h5-6,11,17H,2-4,7-10H2,1H3.
What are the key properties of 3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 46231511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).