2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one

C8H14N2O — CID 21350145

IUPAC2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one
SMILESCC(C)C1=CNC(C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-5(2)7-4-9-6(3)8(11)10-7/h4-6,9H,1-3H3,(H,10,11)
InChIKeyDKPWKXIGLAHVSN-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.59
Rot. Bonds1

About 2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one

2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one (PubChem CID 21350145) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one
PubChem CID21350145
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one
SMILESCC(C)C1=CNC(C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-5(2)7-4-9-6(3)8(11)10-7/h4-6,9H,1-3H3,(H,10,11)
InChIKeyDKPWKXIGLAHVSN-UHFFFAOYSA-N
XLogP0.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-2,4-dihydro-1H-pyrazin-3-one
CID 146684659
2-(But-1-en-2-ylamino)propanamide
CID 89082957
5-Propan-2-yl-1,4-dihydropyrazine-2,3-dione
CID 89458462
(6S)-5-methylidene-6-propan-2-ylpiperazin-2-one
CID 122522401
2-(3-Methylpenta-1,4-dien-2-ylamino)propanamide
CID 129018521
(2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide
CID 129046191
5-Tert-butyl-1,4-dihydropyrazine-2,3-dione
CID 134558447
N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide
CID 139303031
(2S)-2-(but-1-en-2-ylamino)butanamide
CID 139335639
2-(but-1-en-2-ylamino)-N-[2-(propylamino)ethyl]acetamide;ethane
CID 141974515
2-(3-Methylbut-1-en-2-ylamino)acetamide
CID 145493065
(2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide
CID 146174559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one?
The IUPAC name of 2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one (CID 21350145) is 2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one.
What is the SMILES notation for 2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one?
The canonical SMILES for 2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one is CC(C)C1=CNC(C)C(=O)N1.
What is the InChIKey of 2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one?
The InChIKey is DKPWKXIGLAHVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)7-4-9-6(3)8(11)10-7/h4-6,9H,1-3H3,(H,10,11).
What are the key properties of 2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one?
2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one has a molecular weight of 154.21 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-2,4-dihydro-1H-pyrazin-3-one is sourced from PubChem (CID 21350145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).