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

C8H14N4O — CID 114570606

IUPAC3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
SMILESCN(CCCN)c1ncc[nH]c1=O
InChIInChI=1S/C8H14N4O/c1-12(6-2-3-9)7-8(13)11-5-4-10-7/h4-5H,2-3,6,9H2,1H3,(H,11,13)
InChIKeyBHCPTOXNUAYIDB-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.45
Rot. Bonds4

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

3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one (PubChem CID 114570606) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
PubChem CID114570606
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
SMILESCN(CCCN)c1ncc[nH]c1=O
InChIInChI=1S/C8H14N4O/c1-12(6-2-3-9)7-8(13)11-5-4-10-7/h4-5H,2-3,6,9H2,1H3,(H,11,13)
InChIKeyBHCPTOXNUAYIDB-UHFFFAOYSA-N
XLogP-0.45
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one
CID 115657080
3-[2-methoxyethyl(methyl)amino]-1H-pyrazin-2-one
CID 115657141
3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
CID 114570348
4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972460
3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114570641
3-[N-(3-aminopropyl)-4-fluoroanilino]-1H-pyrazin-2-one
CID 114570610
3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114571498
3-[(4-aminophenyl)methyl-methylamino]-1H-pyrazin-2-one
CID 114571079
N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide
CID 114570754
3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide
CID 115319430
3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one
CID 55155444
3-[5-aminopentyl(methyl)amino]-1-propan-2-ylpyrazin-2-one
CID 107206954

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one (CID 114570606) is 3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one is CN(CCCN)c1ncc[nH]c1=O.
What is the InChIKey of 3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one?
The InChIKey is BHCPTOXNUAYIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12(6-2-3-9)7-8(13)11-5-4-10-7/h4-5H,2-3,6,9H2,1H3,(H,11,13).
What are the key properties of 3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one?
3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one has a molecular weight of 182.23 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114570606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).