3,4-ditert-butyl-1,3-dihydropyrazin-2-one

C12H22N2O — CID 176646508

IUPAC3,4-ditert-butyl-1,3-dihydropyrazin-2-one
SMILESCC(C)(C)C1C(=O)NC=CN1C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-11(2,3)9-10(15)13-7-8-14(9)12(4,5)6/h7-9H,1-6H3,(H,13,15)
InChIKeyHINLBTQOPYQIQQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.10
Rot. Bonds

About 3,4-ditert-butyl-1,3-dihydropyrazin-2-one

3,4-ditert-butyl-1,3-dihydropyrazin-2-one (PubChem CID 176646508) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3,4-ditert-butyl-1,3-dihydropyrazin-2-one.

Molecular Properties

Compound Name3,4-ditert-butyl-1,3-dihydropyrazin-2-one
PubChem CID176646508
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3,4-ditert-butyl-1,3-dihydropyrazin-2-one
SMILESCC(C)(C)C1C(=O)NC=CN1C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-11(2,3)9-10(15)13-7-8-14(9)12(4,5)6/h7-9H,1-6H3,(H,13,15)
InChIKeyHINLBTQOPYQIQQ-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-1,3-dihydropyrazin-2-one?
The IUPAC name of 3,4-ditert-butyl-1,3-dihydropyrazin-2-one (CID 176646508) is 3,4-ditert-butyl-1,3-dihydropyrazin-2-one.
What is the SMILES notation for 3,4-ditert-butyl-1,3-dihydropyrazin-2-one?
The canonical SMILES for 3,4-ditert-butyl-1,3-dihydropyrazin-2-one is CC(C)(C)C1C(=O)NC=CN1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-1,3-dihydropyrazin-2-one?
The InChIKey is HINLBTQOPYQIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2,3)9-10(15)13-7-8-14(9)12(4,5)6/h7-9H,1-6H3,(H,13,15).
What are the key properties of 3,4-ditert-butyl-1,3-dihydropyrazin-2-one?
3,4-ditert-butyl-1,3-dihydropyrazin-2-one has a molecular weight of 210.32 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-1,3-dihydropyrazin-2-one is sourced from PubChem (CID 176646508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).