3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one

C12H22N4O — CID 63194330

IUPAC3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one
SMILESCC(C)(CN)Nc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C12H22N4O/c1-11(2,3)16-7-6-14-9(10(16)17)15-12(4,5)8-13/h6-7H,8,13H2,1-5H3,(H,14,15)
InChIKeyLSROQWHWXJVFPM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.15
Rot. Bonds3

About 3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one

3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one (PubChem CID 63194330) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one
PubChem CID63194330
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one
SMILESCC(C)(CN)Nc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C12H22N4O/c1-11(2,3)16-7-6-14-9(10(16)17)15-12(4,5)8-13/h6-7H,8,13H2,1-5H3,(H,14,15)
InChIKeyLSROQWHWXJVFPM-UHFFFAOYSA-N
XLogP1.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 64549067
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 62939947
1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
CID 62938769
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
3-[[2-(aminomethyl)phenyl]methylamino]-1-tert-butylpyrazin-2-one
CID 62951201
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610
3-[3-(2-aminoethoxy)propylamino]-1-tert-butylpyrazin-2-one
CID 106308349
3-[(4-aminophenyl)methylamino]-1-tert-butylpyrazin-2-one
CID 62929541
1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one
CID 114943089
3-[(2-amino-3-hydroxybutyl)amino]-1-tert-butylpyrazin-2-one
CID 64541943
1-tert-butyl-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazin-2-one
CID 113313353

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one?
The IUPAC name of 3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one (CID 63194330) is 3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one.
What is the SMILES notation for 3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one?
The canonical SMILES for 3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one is CC(C)(CN)Nc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one?
The InChIKey is LSROQWHWXJVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(2,3)16-7-6-14-9(10(16)17)15-12(4,5)8-13/h6-7H,8,13H2,1-5H3,(H,14,15).
What are the key properties of 3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one?
3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one is sourced from PubChem (CID 63194330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).