3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one

C15H19N3O2 — CID 62940894

IUPAC3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(O)c2ccccc2)c1=O
InChIInChI=1S/C15H19N3O2/c1-2-9-18-10-8-16-14(15(18)20)17-11-13(19)12-6-4-3-5-7-12/h3-8,10,13,19H,2,9,11H2,1H3,(H,16,17)
InChIKeyVSXHMWUWKSMTJI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.80
Rot. Bonds6

About 3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one

3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one (PubChem CID 62940894) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one
PubChem CID62940894
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(O)c2ccccc2)c1=O
InChIInChI=1S/C15H19N3O2/c1-2-9-18-10-8-16-14(15(18)20)17-11-13(19)12-6-4-3-5-7-12/h3-8,10,13,19H,2,9,11H2,1H3,(H,16,17)
InChIKeyVSXHMWUWKSMTJI-UHFFFAOYSA-N
XLogP1.80
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one
CID 62929894
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one
CID 106435749
3-methyl-2-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]butanoic acid
CID 65226703
6-[(3-oxo-4-propylpyrazin-2-yl)amino]hexanoic acid
CID 62938901
3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid
CID 62940771
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578
4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196
3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one
CID 62927796
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
CID 66168864

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one (CID 62940894) is 3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NCC(O)c2ccccc2)c1=O.
What is the InChIKey of 3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one?
The InChIKey is VSXHMWUWKSMTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-9-18-10-8-16-14(15(18)20)17-11-13(19)12-6-4-3-5-7-12/h3-8,10,13,19H,2,9,11H2,1H3,(H,16,17).
What are the key properties of 3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one?
3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62940894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).