3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one

C9H16N4O — CID 114568070

IUPAC3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
SMILESCN(C)CCCNc1ncc[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-13(2)7-3-4-10-8-9(14)12-6-5-11-8/h5-6H,3-4,7H2,1-2H3,(H,10,11)(H,12,14)
InChIKeyITZXDHULBGMHRV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.13
Rot. Bonds5

About 3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one

3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one (PubChem CID 114568070) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
PubChem CID114568070
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
SMILESCN(C)CCCNc1ncc[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-13(2)7-3-4-10-8-9(14)12-6-5-11-8/h5-6H,3-4,7H2,1-2H3,(H,10,11)(H,12,14)
InChIKeyITZXDHULBGMHRV-UHFFFAOYSA-N
XLogP0.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
CID 115656911
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one
CID 115657026
3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one
CID 115698510
3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide
CID 62684277
3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one
CID 103724924
3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one
CID 115657362
3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one
CID 103702655
N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569295
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one (CID 114568070) is 3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one is CN(C)CCCNc1ncc[nH]c1=O.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one?
The InChIKey is ITZXDHULBGMHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13(2)7-3-4-10-8-9(14)12-6-5-11-8/h5-6H,3-4,7H2,1-2H3,(H,10,11)(H,12,14).
What are the key properties of 3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one?
3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 114568070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).