1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one

C12H16N4O — CID 63812145

IUPAC1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one
SMILESCc1nccn1-c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C12H16N4O/c1-9-13-5-7-15(9)10-11(17)16(8-6-14-10)12(2,3)4/h5-8H,1-4H3
InChIKeyLZJOKKHEZLRZQQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.49
Rot. Bonds1

About 1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one

1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one (PubChem CID 63812145) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one
PubChem CID63812145
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one
SMILESCc1nccn1-c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C12H16N4O/c1-9-13-5-7-15(9)10-11(17)16(8-6-14-10)12(2,3)4/h5-8H,1-4H3
InChIKeyLZJOKKHEZLRZQQ-UHFFFAOYSA-N
XLogP1.49
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-[4-(2-chloroethyl)piperazin-1-yl]pyrazin-2-one
CID 63392177
3-(3-aminopyrrolidin-1-yl)-1-tert-butylpyrazin-2-one
CID 62927962
3-[4-(bromomethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one
CID 80669820
2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid
CID 62939430
1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one
CID 114680888
3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 63194330
1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one
CID 62928367
3-[2-(bromomethyl)pyrrolidin-1-yl]-1-tert-butylpyrazin-2-one
CID 80667305
1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
CID 62938769
1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one
CID 66208089
1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107070229
3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one
CID 63255696

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one (CID 63812145) is 1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one is Cc1nccn1-c1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one?
The InChIKey is LZJOKKHEZLRZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-13-5-7-15(9)10-11(17)16(8-6-14-10)12(2,3)4/h5-8H,1-4H3.
What are the key properties of 1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one?
1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one has a molecular weight of 232.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one is sourced from PubChem (CID 63812145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).