2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one

C5H9N3O — CID 167031458

IUPAC2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one
SMILESCNC1C=NCC(=O)N1
InChIInChI=1S/C5H9N3O/c1-6-4-2-7-3-5(9)8-4/h2,4,6H,3H2,1H3,(H,8,9)
InChIKeyZFBCMODVHOPURM-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.27
Rot. Bonds1

About 2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one

2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one (PubChem CID 167031458) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one
PubChem CID167031458
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one
SMILESCNC1C=NCC(=O)N1
InChIInChI=1S/C5H9N3O/c1-6-4-2-7-3-5(9)8-4/h2,4,6H,3H2,1H3,(H,8,9)
InChIKeyZFBCMODVHOPURM-UHFFFAOYSA-N
XLogP-1.27
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one
CID 19019125
4a,8a-dihydro-1H-pyrazino[2,3-b]pyrazin-2-one
CID 67153789
3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one
CID 89275564
2-(2-aminoethylideneamino)-N-ethylacetamide
CID 123817131
N-(1-amino-2-iminoethyl)acetamide
CID 163494765
N-[1-(methylamino)-3-methyliminopropyl]acetamide
CID 167231830

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one?
The IUPAC name of 2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one (CID 167031458) is 2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one is CNC1C=NCC(=O)N1.
What is the InChIKey of 2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one?
The InChIKey is ZFBCMODVHOPURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-6-4-2-7-3-5(9)8-4/h2,4,6H,3H2,1H3,(H,8,9).
What are the key properties of 2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one?
2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one has a molecular weight of 127.15 g/mol, XLogP of -1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2,5-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 167031458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).