3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

C14H25N3O2 — CID 55156223

IUPAC3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)CC(CO)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)7-12(9-18)16-13-14(19)17(6-5-15-13)8-11(3)4/h5-6,10-12,18H,7-9H2,1-4H3,(H,15,16)
InChIKeyFRTXLZBMGKAOCC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.72
Rot. Bonds7

About 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 55156223) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID55156223
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)CC(CO)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)7-12(9-18)16-13-14(19)17(6-5-15-13)8-11(3)4/h5-6,10-12,18H,7-9H2,1-4H3,(H,15,16)
InChIKeyFRTXLZBMGKAOCC-UHFFFAOYSA-N
XLogP1.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 55156223) is 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)CC(CO)Nc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is FRTXLZBMGKAOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)7-12(9-18)16-13-14(19)17(6-5-15-13)8-11(3)4/h5-6,10-12,18H,7-9H2,1-4H3,(H,15,16).
What are the key properties of 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 267.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 55156223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).