3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one

C13H21N3O3 — CID 46231453

IUPAC3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one
SMILESCCc1nccnc1C(=O)CCN(CCO)CCO
InChIInChI=1S/C13H21N3O3/c1-2-11-13(15-5-4-14-11)12(19)3-6-16(7-9-17)8-10-18/h4-5,17-18H,2-3,6-10H2,1H3
InChIKeySLPHCXTZJYENED-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.10
Rot. Bonds9

About 3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one

3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one (PubChem CID 46231453) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one
PubChem CID46231453
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one
SMILESCCc1nccnc1C(=O)CCN(CCO)CCO
InChIInChI=1S/C13H21N3O3/c1-2-11-13(15-5-4-14-11)12(19)3-6-16(7-9-17)8-10-18/h4-5,17-18H,2-3,6-10H2,1H3
InChIKeySLPHCXTZJYENED-UHFFFAOYSA-N
XLogP-0.10
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Acetyl-3-ethylpyrazine
CID 61918
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-[Butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231511
3-[2-Hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231512
1-(3,5-Dimethyl-2-pyrazinyl)propanone
CID 571940
1-(3,6-Dimethyl-2-pyrazinyl)propanone
CID 571941
1-(3,6-Dimethylpyrazin-2-yl)-2-methylpropan-1-one
CID 572261
1-(3-(2-Methyl-1-propyl)-2-pyrazinyl)-1-propanone
CID 591239
1-(2,5-Dimethyl-3-pyrazinyl)-3-methyl-1-butanone
CID 572706

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one (CID 46231453) is 3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one is CCc1nccnc1C(=O)CCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one?
The InChIKey is SLPHCXTZJYENED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-11-13(15-5-4-14-11)12(19)3-6-16(7-9-17)8-10-18/h4-5,17-18H,2-3,6-10H2,1H3.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one?
3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one has a molecular weight of 267.33 g/mol, XLogP of -0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one is sourced from PubChem (CID 46231453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).