(5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one

C8H15N3O — CID 130741711

IUPAC(5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one
SMILESCC(C)C[C@H]1N=C(N)CNC1=O
InChIInChI=1S/C8H15N3O/c1-5(2)3-6-8(12)10-4-7(9)11-6/h5-6H,3-4H2,1-2H3,(H2,9,11)(H,10,12)/t6-/m1/s1
InChIKeyAMLASCDSMRWBIT-ZCFIWIBFSA-N
MW169.23 g/mol
LogP-0.11
Rot. Bonds2

About (5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one

(5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one (PubChem CID 130741711) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name(5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one
PubChem CID130741711
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one
SMILESCC(C)C[C@H]1N=C(N)CNC1=O
InChIInChI=1S/C8H15N3O/c1-5(2)3-6-8(12)10-4-7(9)11-6/h5-6H,3-4H2,1-2H3,(H2,9,11)(H,10,12)/t6-/m1/s1
InChIKeyAMLASCDSMRWBIT-ZCFIWIBFSA-N
XLogP-0.11
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one
CID 45092769
(3R)-5,5-dimethyl-3-(2-methylpropyl)piperazin-2-one
CID 92975056
(5R)-5-ethyl-3-methoxy-2,5-dihydro-1H-pyrazin-6-one
CID 142558595
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64879110
6-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64880261
1-[(E)-but-2-enyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 107898402
1,1-dimethyl-3-[(4R)-4-(2-methylpropyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine
CID 176531862
(5R)-3-ethoxy-5-(sulfanylmethyl)-2,5-dihydro-1H-pyrazin-6-one
CID 88983273
3-(dicyclopropylmethyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83253006
4-(2-methylpropyl)cyclohexan-1-one
CID 14740079
5-chloro-2-methyl-4-(2-methylpropyl)-1,4-dihydropyrimidine
CID 134478721

Frequently Asked Questions

What is the IUPAC name of (5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one?
The IUPAC name of (5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one (CID 130741711) is (5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for (5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one?
The canonical SMILES for (5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one is CC(C)C[C@H]1N=C(N)CNC1=O.
What is the InChIKey of (5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one?
The InChIKey is AMLASCDSMRWBIT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(2)3-6-8(12)10-4-7(9)11-6/h5-6H,3-4H2,1-2H3,(H2,9,11)(H,10,12)/t6-/m1/s1.
What are the key properties of (5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one?
(5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one has a molecular weight of 169.23 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-amino-5-(2-methylpropyl)-2,5-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 130741711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).