1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one

C13H20N6O — CID 63330276

IUPAC1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2nncn2C)c1=O
InChIInChI=1S/C13H20N6O/c1-10(2)8-19-7-6-15-12(13(19)20)14-5-4-11-17-16-9-18(11)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyHJCYBWONHZRWIS-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.68
Rot. Bonds6

About 1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one

1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one (PubChem CID 63330276) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one
PubChem CID63330276
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2nncn2C)c1=O
InChIInChI=1S/C13H20N6O/c1-10(2)8-19-7-6-15-12(13(19)20)14-5-4-11-17-16-9-18(11)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyHJCYBWONHZRWIS-UHFFFAOYSA-N
XLogP0.68
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
1-(2-methylpropyl)-3-(3-methylsulfonylpropylamino)pyrazin-2-one
CID 55157563
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
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3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 65232547
3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939485
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
N-ethyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106572865
3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62939874
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one (CID 63330276) is 1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one is CC(C)Cn1ccnc(NCCc2nncn2C)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one?
The InChIKey is HJCYBWONHZRWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10(2)8-19-7-6-15-12(13(19)20)14-5-4-11-17-16-9-18(11)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one?
1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 63330276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).