(5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one

C5H9N3O — CID 45092769

IUPAC(5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one
SMILESC[C@@H]1N=C(N)CNC1=O
InChIInChI=1S/C5H9N3O/c1-3-5(9)7-2-4(6)8-3/h3H,2H2,1H3,(H2,6,8)(H,7,9)/t3-/m0/s1
InChIKeyBRTYIALMRMZGTC-VKHMYHEASA-N
MW127.15 g/mol
LogP-1.14
Rot. Bonds

About (5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one

(5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one (PubChem CID 45092769) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name(5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one
PubChem CID45092769
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one
SMILESC[C@@H]1N=C(N)CNC1=O
InChIInChI=1S/C5H9N3O/c1-3-5(9)7-2-4(6)8-3/h3H,2H2,1H3,(H2,6,8)(H,7,9)/t3-/m0/s1
InChIKeyBRTYIALMRMZGTC-VKHMYHEASA-N
XLogP-1.14
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5,6-dihydropyrazin-2-ol
CID 13045096
3,6-Dihydro-5-aminopyrazin-2(1h)-one
CID 70097692
5-Dimethylamino-3,6-dihydropyrazin-2(1h)-one
CID 129860186
2,4-Dimethyl-1,4-dihydroimidazol-5-one
CID 11571792
5-methyl-2,5-dihydro-1H-pyrazin-6-one
CID 22097245
N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide
CID 22750372
N-[2-(1-aminoethylideneamino)ethyl]acetamide
CID 23394281
N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]propanamide
CID 53916049
3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one
CID 54180760
2,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one
CID 54296545
2-[(C-methanimidoyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide
CID 59091067
2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)
CID 59279704

Frequently Asked Questions

What is the IUPAC name of (5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one?
The IUPAC name of (5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one (CID 45092769) is (5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for (5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one?
The canonical SMILES for (5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one is C[C@@H]1N=C(N)CNC1=O.
What is the InChIKey of (5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one?
The InChIKey is BRTYIALMRMZGTC-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-5(9)7-2-4(6)8-3/h3H,2H2,1H3,(H2,6,8)(H,7,9)/t3-/m0/s1.
What are the key properties of (5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one?
(5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one has a molecular weight of 127.15 g/mol, XLogP of -1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-amino-5-methyl-2,5-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 45092769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).