3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one

C16H21N3O2 — CID 62929910

IUPAC3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N(CCO)Cc2ccccc2)c1=O
InChIInChI=1S/C16H21N3O2/c1-13(2)19-9-8-17-15(16(19)21)18(10-11-20)12-14-6-4-3-5-7-14/h3-9,13,20H,10-12H2,1-2H3
InChIKeyACAPJNFBPWOANE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.82
Rot. Bonds6

About 3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one

3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 62929910) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID62929910
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N(CCO)Cc2ccccc2)c1=O
InChIInChI=1S/C16H21N3O2/c1-13(2)19-9-8-17-15(16(19)21)18(10-11-20)12-14-6-4-3-5-7-14/h3-9,13,20H,10-12H2,1-2H3
InChIKeyACAPJNFBPWOANE-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one (CID 62929910) is 3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(N(CCO)Cc2ccccc2)c1=O.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is ACAPJNFBPWOANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13(2)19-9-8-17-15(16(19)21)18(10-11-20)12-14-6-4-3-5-7-14/h3-9,13,20H,10-12H2,1-2H3.
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62929910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).