3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one

C18H19N3O2 — CID 141324215

IUPAC3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one
SMILESC[C@@H](CO)[C@@H](Nc1ncc[nH]c1=O)c1cccc2ccccc12
InChIInChI=1S/C18H19N3O2/c1-12(11-22)16(21-17-18(23)20-10-9-19-17)15-8-4-6-13-5-2-3-7-14(13)15/h2-10,12,16,22H,11H2,1H3,(H,19,21)(H,20,23)/t12-,16+/m0/s1
InChIKeyRCBSBCQWAIBWPE-BLLLJJGKSA-N
MW309.37 g/mol
LogP2.70
Rot. Bonds5

About 3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one

3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one (PubChem CID 141324215) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one
PubChem CID141324215
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one
SMILESC[C@@H](CO)[C@@H](Nc1ncc[nH]c1=O)c1cccc2ccccc12
InChIInChI=1S/C18H19N3O2/c1-12(11-22)16(21-17-18(23)20-10-9-19-17)15-8-4-6-13-5-2-3-7-14(13)15/h2-10,12,16,22H,11H2,1H3,(H,19,21)(H,20,23)/t12-,16+/m0/s1
InChIKeyRCBSBCQWAIBWPE-BLLLJJGKSA-N
XLogP2.70
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one (CID 141324215) is 3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one is C[C@@H](CO)[C@@H](Nc1ncc[nH]c1=O)c1cccc2ccccc12.
What is the InChIKey of 3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one?
The InChIKey is RCBSBCQWAIBWPE-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(11-22)16(21-17-18(23)20-10-9-19-17)15-8-4-6-13-5-2-3-7-14(13)15/h2-10,12,16,22H,11H2,1H3,(H,19,21)(H,20,23)/t12-,16+/m0/s1.
What are the key properties of 3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one?
3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-3-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]amino]-1H-pyrazin-2-one is sourced from PubChem (CID 141324215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).