5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one

C8H14N2O — CID 90702382

IUPAC5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one
SMILESCC1N=CC(C(C)C)NC1=O
InChIInChI=1S/C8H14N2O/c1-5(2)7-4-9-6(3)8(11)10-7/h4-7H,1-3H3,(H,10,11)
InChIKeyDLBKWPPRKGPHLI-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.60
Rot. Bonds1

About 5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one

5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one (PubChem CID 90702382) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one
PubChem CID90702382
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one
SMILESCC1N=CC(C(C)C)NC1=O
InChIInChI=1S/C8H14N2O/c1-5(2)7-4-9-6(3)8(11)10-7/h4-7H,1-3H3,(H,10,11)
InChIKeyDLBKWPPRKGPHLI-UHFFFAOYSA-N
XLogP0.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-methyl-2,5-dihydro-1H-pyrazin-6-one
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one?
The IUPAC name of 5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one (CID 90702382) is 5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one is CC1N=CC(C(C)C)NC1=O.
What is the InChIKey of 5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one?
The InChIKey is DLBKWPPRKGPHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)7-4-9-6(3)8(11)10-7/h4-7H,1-3H3,(H,10,11).
What are the key properties of 5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one?
5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one has a molecular weight of 154.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 90702382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).