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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Related Compounds

N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45496961
3-(2-Hydroxypropyl)-6-methyl-2-phenyl-3,4-dihydropyrimidin-4-one
CID 53192040
5-[3-[(dimethylamino)methyl]phenyl]-1-ethyl-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 177662241
1-ethyl-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(2-propan-2-ylphenyl)pyrazin-2-one
CID 177662534
1-ethyl-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-phenylpyrazin-2-one
CID 177664600
5-[4-[(dimethylamino)methyl]phenyl]-1-ethyl-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 177664724
N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
CID 129198178
1-[(4-Fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one
CID 146243082
1-[(4-Fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one
CID 146251868
7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1-(2-propoxyethyl)-5H-pyrido[3,4-b]pyrazin-2-one
CID 163764537
N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide
CID 135026271
N-cyclohexyl-2-[ethyl(2-hydroxyethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 60346456

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).