3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one

C13H19N5O — CID 62939874

IUPAC3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCCc2nccn2C)c1=O
InChIInChI=1S/C13H19N5O/c1-10(2)18-9-7-16-12(13(18)19)15-5-4-11-14-6-8-17(11)3/h6-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyCHWSSMKKDYMIHF-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.21
Rot. Bonds5

About 3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one

3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 62939874) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID62939874
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCCc2nccn2C)c1=O
InChIInChI=1S/C13H19N5O/c1-10(2)18-9-7-16-12(13(18)19)15-5-4-11-14-6-8-17(11)3/h6-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyCHWSSMKKDYMIHF-UHFFFAOYSA-N
XLogP1.21
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 106105480
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
3-(2-piperidin-1-ylethylamino)-1-propan-2-ylpyrazin-2-one
CID 55156035
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
CID 106337676
N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676
3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62928664
3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 62929851
N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide
CID 106337202
3-[2-(2,2-difluoroethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 114127782
1-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazin-2-one
CID 104626468
1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one
CID 63330276

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one (CID 62939874) is 3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(NCCc2nccn2C)c1=O.
What is the InChIKey of 3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is CHWSSMKKDYMIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)18-9-7-16-12(13(18)19)15-5-4-11-14-6-8-17(11)3/h6-10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one?
3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 261.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62939874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).