3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

C13H19N5O — CID 65232547

IUPAC3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2cnc[nH]2)c1=O
InChIInChI=1S/C13H19N5O/c1-10(2)8-18-6-5-16-12(13(18)19)15-4-3-11-7-14-9-17-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyIZFBDMOCVQAVKA-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.28
Rot. Bonds6

About 3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 65232547) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID65232547
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2cnc[nH]2)c1=O
InChIInChI=1S/C13H19N5O/c1-10(2)8-18-6-5-16-12(13(18)19)15-4-3-11-7-14-9-17-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyIZFBDMOCVQAVKA-UHFFFAOYSA-N
XLogP1.28
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one
CID 63330276
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
1-(2-methylpropyl)-3-(3-methylsulfonylpropylamino)pyrazin-2-one
CID 55157563
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 65232547) is 3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCCc2cnc[nH]2)c1=O.
What is the InChIKey of 3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is IZFBDMOCVQAVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)8-18-6-5-16-12(13(18)19)15-4-3-11-7-14-9-17-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 261.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 65232547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).