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

C12H19N3O2 — CID 46231512

IUPAC3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESCC(C)N(CCO)CCC(=O)c1cnccn1
InChIInChI=1S/C12H19N3O2/c1-10(2)15(7-8-16)6-3-12(17)11-9-13-4-5-14-11/h4-5,9-10,16H,3,6-8H2,1-2H3
InChIKeyLEAXPCUKAXIIET-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.75
Rot. Bonds7

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

3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one (PubChem CID 46231512) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one
PubChem CID46231512
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESCC(C)N(CCO)CCC(=O)c1cnccn1
InChIInChI=1S/C12H19N3O2/c1-10(2)15(7-8-16)6-3-12(17)11-9-13-4-5-14-11/h4-5,9-10,16H,3,6-8H2,1-2H3
InChIKeyLEAXPCUKAXIIET-UHFFFAOYSA-N
XLogP0.75
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one (CID 46231512) is 3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one is CC(C)N(CCO)CCC(=O)c1cnccn1.
What is the InChIKey of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one?
The InChIKey is LEAXPCUKAXIIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10(2)15(7-8-16)6-3-12(17)11-9-13-4-5-14-11/h4-5,9-10,16H,3,6-8H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one?
3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one has a molecular weight of 237.30 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 46231512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).