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

C11H17N3O3 — CID 46231510

IUPAC3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESO=C(CCN(CCO)CCO)c1cnccn1
InChIInChI=1S/C11H17N3O3/c15-7-5-14(6-8-16)4-1-11(17)10-9-12-2-3-13-10/h2-3,9,15-16H,1,4-8H2
InChIKeyVUHPHFNRTJDUBD-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.66
Rot. Bonds8

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

3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one (PubChem CID 46231510) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
PubChem CID46231510
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESO=C(CCN(CCO)CCO)c1cnccn1
InChIInChI=1S/C11H17N3O3/c15-7-5-14(6-8-16)4-1-11(17)10-9-12-2-3-13-10/h2-3,9,15-16H,1,4-8H2
InChIKeyVUHPHFNRTJDUBD-UHFFFAOYSA-N
XLogP-0.66
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one (CID 46231510) is 3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one is O=C(CCN(CCO)CCO)c1cnccn1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The InChIKey is VUHPHFNRTJDUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-7-5-14(6-8-16)4-1-11(17)10-9-12-2-3-13-10/h2-3,9,15-16H,1,4-8H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one?
3-[bis(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one has a molecular weight of 239.27 g/mol, XLogP of -0.66, 8 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-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 46231510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).