3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one

C8H14N4O — CID 114571498

IUPAC3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one
SMILESCC(CN)N(C)c1ncc[nH]c1=O
InChIInChI=1S/C8H14N4O/c1-6(5-9)12(2)7-8(13)11-4-3-10-7/h3-4,6H,5,9H2,1-2H3,(H,11,13)
InChIKeyXEGRECBMARCZAG-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.45
Rot. Bonds3

About 3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one

3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one (PubChem CID 114571498) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one
PubChem CID114571498
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one
SMILESCC(CN)N(C)c1ncc[nH]c1=O
InChIInChI=1S/C8H14N4O/c1-6(5-9)12(2)7-8(13)11-4-3-10-7/h3-4,6H,5,9H2,1-2H3,(H,11,13)
InChIKeyXEGRECBMARCZAG-UHFFFAOYSA-N
XLogP-0.45
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114570641
2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine
CID 82416536
3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
CID 114570606
3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
CID 114570348
N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide
CID 114570754
2-N-(3-chloro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 104556751
3-[2-methoxyethyl(methyl)amino]-1H-pyrazin-2-one
CID 115657141
3-[butyl(ethyl)amino]-1H-pyrazin-2-one
CID 115656884
2-N-(3-fluoro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 83828629
3-[(4-aminophenyl)methyl-methylamino]-1H-pyrazin-2-one
CID 114571079
3-[ethyl(2-methoxyethyl)amino]-1H-pyrazin-2-one
CID 115657183
methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate
CID 114571206

Frequently Asked Questions

What is the IUPAC name of 3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one (CID 114571498) is 3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one is CC(CN)N(C)c1ncc[nH]c1=O.
What is the InChIKey of 3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one?
The InChIKey is XEGRECBMARCZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(5-9)12(2)7-8(13)11-4-3-10-7/h3-4,6H,5,9H2,1-2H3,(H,11,13).
What are the key properties of 3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one?
3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one has a molecular weight of 182.23 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114571498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).