3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one

C14H17N3O2 — CID 63260482

IUPAC3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC(CO)Cc2ccccc2)c1=O
InChIInChI=1S/C14H17N3O2/c1-17-8-7-15-13(14(17)19)16-12(10-18)9-11-5-3-2-4-6-11/h2-8,12,18H,9-10H2,1H3,(H,15,16)
InChIKeyAKRNJIVDRMGVAK-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.80
Rot. Bonds5

About 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one

3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one (PubChem CID 63260482) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
PubChem CID63260482
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC(CO)Cc2ccccc2)c1=O
InChIInChI=1S/C14H17N3O2/c1-17-8-7-15-13(14(17)19)16-12(10-18)9-11-5-3-2-4-6-11/h2-8,12,18H,9-10H2,1H3,(H,15,16)
InChIKeyAKRNJIVDRMGVAK-UHFFFAOYSA-N
XLogP0.80
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
CID 97261191
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
CID 79247191
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
3-(1-aminobutan-2-ylamino)-1-methylpyrazin-2-one
CID 63765313
3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one
CID 79033342
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate
CID 62939898
3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one
CID 63759970
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
CID 103703893
3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one
CID 65192630
(2S)-2-amino-N-(1-methylimidazol-2-yl)-3-phenylpropanamide
CID 15837349
4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one
CID 115612275

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one (CID 63260482) is 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one is Cn1ccnc(NC(CO)Cc2ccccc2)c1=O.
What is the InChIKey of 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one?
The InChIKey is AKRNJIVDRMGVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-8-7-15-13(14(17)19)16-12(10-18)9-11-5-3-2-4-6-11/h2-8,12,18H,9-10H2,1H3,(H,15,16).
What are the key properties of 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one?
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 63260482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).