1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium

C7H7N3O — CID 118591416

IUPAC1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium
SMILES[O-][N+]1=CCNc2ncccc21
InChIInChI=1S/C7H7N3O/c11-10-5-4-9-7-6(10)2-1-3-8-7/h1-3,5H,4H2,(H,8,9)
InChIKeyZYRIVWSZCSHDKV-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.72
Rot. Bonds

About 1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium

1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium (PubChem CID 118591416) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium.

Molecular Properties

Compound Name1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium
PubChem CID118591416
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium
SMILES[O-][N+]1=CCNc2ncccc21
InChIInChI=1S/C7H7N3O/c11-10-5-4-9-7-6(10)2-1-3-8-7/h1-3,5H,4H2,(H,8,9)
InChIKeyZYRIVWSZCSHDKV-UHFFFAOYSA-N
XLogP0.72
TPSA50.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-2-Pyridylaniline
CID 81130
1-(2-Pyridyl)piperazine
CID 94459
2,3-Diaminopyridine
CID 9956
2,5-Pyridinediamine
CID 20314
3-Nitropyridin-2-ylamine
CID 77887
5-Nitro-2-piperidinopyridine
CID 97158
2-Pyridinamine, N-methyl-
CID 20727
5-Nitro-N-phenylpyridin-2-amine
CID 81268
Pyrido(2,3-b)pyrazine-2,3-diol
CID 74947
2-Amino-4-methyl-3-nitropyridine
CID 243166
2-Amino-4-methyl-5-nitropyridine
CID 243165
2-Benzylamino-5-nitropyridine
CID 261542

Frequently Asked Questions

What is the IUPAC name of 1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium?
The IUPAC name of 1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium (CID 118591416) is 1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium.
What is the SMILES notation for 1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium?
The canonical SMILES for 1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium is [O-][N+]1=CCNc2ncccc21.
What is the InChIKey of 1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium?
The InChIKey is ZYRIVWSZCSHDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-10-5-4-9-7-6(10)2-1-3-8-7/h1-3,5H,4H2,(H,8,9).
What are the key properties of 1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium?
1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium has a molecular weight of 149.15 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-3,4-dihydropyrido[2,3-b]pyrazin-1-ium is sourced from PubChem (CID 118591416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).