5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one

C10H16N2O — CID 58821040

IUPAC5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one
SMILESCc1[nH]c(=O)c(C)nc1C(C)(C)C
InChIInChI=1S/C10H16N2O/c1-6-8(10(3,4)5)11-7(2)9(13)12-6/h1-5H3,(H,12,13)
InChIKeyHJLUUBCRXVVKCM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.68
Rot. Bonds

About 5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one

5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one (PubChem CID 58821040) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one
PubChem CID58821040
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one
SMILESCc1[nH]c(=O)c(C)nc1C(C)(C)C
InChIInChI=1S/C10H16N2O/c1-6-8(10(3,4)5)11-7(2)9(13)12-6/h1-5H3,(H,12,13)
InChIKeyHJLUUBCRXVVKCM-UHFFFAOYSA-N
XLogP1.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Ethyl-3,5-dimethylpyrazin-2(1H)-one
CID 12447007
5-Ethyl-3,6-dimethylpyrazin-2(1H)-one
CID 15768472
3,6-dimethyl-5-propan-2-yl-1H-pyrazin-2-one
CID 122543539
6-butyl-3,5-dimethyl-1H-pyrazin-2-one
CID 134987082
5,6-Diethyl-3-methyl-2(1H)-pyrazinone
CID 15768473
3,6-dimethyl-5-propyl-2(1H)-pyrazinone
CID 21844033
3,5-dimethyl-6-propyl-2(1H)-pyrazinone
CID 21844035
3,5-Dimethyl-6-(2-methylpropyl)pyrazin-2(1H)-one
CID 10397401
3,5,6-Tri-tert-butyl-1,2-dihydropyrazin-2-one
CID 619400
5,6-ditert-butyl-1H-pyrazin-2-one
CID 57642940
methane;3,5,6-trimethyl-1H-pyrazin-2-one
CID 70513336
6-tert-butyl-5-ethyl-1H-pyrazin-2-one
CID 89193817

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one (CID 58821040) is 5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one is Cc1[nH]c(=O)c(C)nc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is HJLUUBCRXVVKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-8(10(3,4)5)11-7(2)9(13)12-6/h1-5H3,(H,12,13).
What are the key properties of 5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one?
5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 58821040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).