5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one

C14H26N2O — CID 123530246

IUPAC5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one
SMILESCC(C)CC1=NC(C(C)C)C(C(C)C)NC1=O
InChIInChI=1S/C14H26N2O/c1-8(2)7-11-14(17)16-13(10(5)6)12(15-11)9(3)4/h8-10,12-13H,7H2,1-6H3,(H,16,17)
InChIKeySKKIQCSAQOYKMH-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.65
Rot. Bonds4

About 5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one

5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 123530246) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one
PubChem CID123530246
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one
SMILESCC(C)CC1=NC(C(C)C)C(C(C)C)NC1=O
InChIInChI=1S/C14H26N2O/c1-8(2)7-11-14(17)16-13(10(5)6)12(15-11)9(3)4/h8-10,12-13H,7H2,1-6H3,(H,16,17)
InChIKeySKKIQCSAQOYKMH-UHFFFAOYSA-N
XLogP2.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclohexyl-4-methylpentanamide
CID 11806021
(5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one
CID 130741711
(2S)-N-ethyl-2-isocyanato-4-methylpentanamide
CID 134858142
(2R)-2-amino-N-cyclohexyl-4-methylpentanamide
CID 44174046
3-methylimino-N-propan-2-ylpentanamide
CID 58790152
(S)-2-amino-N-hexyl-4-methylpentanamide
CID 61154581
4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide
CID 62663118
3-methyl-N-pentyl-3,4-dihydro-2H-pyrrole-2-carboxamide
CID 68274875
(2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide
CID 71173155
(2S,3S)-N-[(5R)-6-amino-5-methyl-6-oxohexyl]-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide
CID 89995974
N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide
CID 90699694
4,4-Dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one
CID 118118042

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of 5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one (CID 123530246) is 5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one is CC(C)CC1=NC(C(C)C)C(C(C)C)NC1=O.
What is the InChIKey of 5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is SKKIQCSAQOYKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-8(2)7-11-14(17)16-13(10(5)6)12(15-11)9(3)4/h8-10,12-13H,7H2,1-6H3,(H,16,17).
What are the key properties of 5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one?
5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 238.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 123530246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).