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

C8H14N4O — CID 115897525

IUPAC3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
SMILESCN(C)CCNc1ncc[nH]c1=O
InChIInChI=1S/C8H14N4O/c1-12(2)6-5-10-7-8(13)11-4-3-9-7/h3-4H,5-6H2,1-2H3,(H,9,10)(H,11,13)
InChIKeyMKAMQXAJSPKTIX-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.26
Rot. Bonds4

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

3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one (PubChem CID 115897525) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
PubChem CID115897525
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
SMILESCN(C)CCNc1ncc[nH]c1=O
InChIInChI=1S/C8H14N4O/c1-12(2)6-5-10-7-8(13)11-4-3-9-7/h3-4H,5-6H2,1-2H3,(H,9,10)(H,11,13)
InChIKeyMKAMQXAJSPKTIX-UHFFFAOYSA-N
XLogP-0.26
TPSA61.02 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 ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
CID 115656911
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-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one
CID 115657362
N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569295
3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one
CID 103081364
N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 76848852
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193
3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one
CID 115657026
3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid
CID 62711461

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one (CID 115897525) is 3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one is CN(C)CCNc1ncc[nH]c1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one?
The InChIKey is MKAMQXAJSPKTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12(2)6-5-10-7-8(13)11-4-3-9-7/h3-4H,5-6H2,1-2H3,(H,9,10)(H,11,13).
What are the key properties of 3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one?
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one has a molecular weight of 182.23 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 115897525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).