3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one

C9H15N3O2 — CID 115657236

IUPAC3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one
SMILESCOCC(C)CNc1ncc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-7(6-14-2)5-12-8-9(13)11-4-3-10-8/h3-4,7H,5-6H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyDFXZRPDNISAHPZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.46
Rot. Bonds5

About 3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one

3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one (PubChem CID 115657236) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one
PubChem CID115657236
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one
SMILESCOCC(C)CNc1ncc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-7(6-14-2)5-12-8-9(13)11-4-3-10-8/h3-4,7H,5-6H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyDFXZRPDNISAHPZ-UHFFFAOYSA-N
XLogP0.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
3-[(3-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 62939228
3-methoxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoic acid
CID 114570562
3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one
CID 127009394
3-[(3-methoxy-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62929149
3-[(4-chloro-1-methoxybutan-2-yl)amino]-1H-pyrazin-2-one
CID 106154188
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193
3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazin-2-one
CID 114569343
3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one
CID 103081364
3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one
CID 115698510
3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one
CID 103724924
3-[2-(2-chloroethyl)pentylamino]-1H-pyrazin-2-one
CID 106117410

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one (CID 115657236) is 3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one is COCC(C)CNc1ncc[nH]c1=O.
What is the InChIKey of 3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one?
The InChIKey is DFXZRPDNISAHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(6-14-2)5-12-8-9(13)11-4-3-10-8/h3-4,7H,5-6H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one?
3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one has a molecular weight of 197.24 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 115657236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).