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

C10H15N3O2 — CID 115698510

IUPAC3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one
SMILESC=C(C)COCCNc1ncc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-8(2)7-15-6-5-12-9-10(14)13-4-3-11-9/h3-4H,1,5-7H2,2H3,(H,11,12)(H,13,14)
InChIKeyKKWIWRICYZBOGX-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.77
Rot. Bonds6

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

3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one (PubChem CID 115698510) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one
PubChem CID115698510
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one
SMILESC=C(C)COCCNc1ncc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-8(2)7-15-6-5-12-9-10(14)13-4-3-11-9/h3-4H,1,5-7H2,2H3,(H,11,12)(H,13,14)
InChIKeyKKWIWRICYZBOGX-UHFFFAOYSA-N
XLogP0.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one
CID 103081364
5-iodo-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one
CID 136977489
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one
CID 115657236
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193
N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569295
6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine
CID 106539948
2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 114468923
2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine
CID 106196919
3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one
CID 103724924

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one (CID 115698510) is 3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one is C=C(C)COCCNc1ncc[nH]c1=O.
What is the InChIKey of 3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one?
The InChIKey is KKWIWRICYZBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8(2)7-15-6-5-12-9-10(14)13-4-3-11-9/h3-4H,1,5-7H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one?
3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 115698510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).