6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid

C9H8N4O3 — CID 81042683

IUPAC6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(c2cnccn2)C(=O)CC1
InChIInChI=1S/C9H8N4O3/c14-8-2-1-6(9(15)16)12-13(8)7-5-10-3-4-11-7/h3-5H,1-2H2,(H,15,16)
InChIKeyAWDVUUDQIDHNFP-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.04
Rot. Bonds2

About 6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid

6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 81042683) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID81042683
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(c2cnccn2)C(=O)CC1
InChIInChI=1S/C9H8N4O3/c14-8-2-1-6(9(15)16)12-13(8)7-5-10-3-4-11-7/h3-5H,1-2H2,(H,15,16)
InChIKeyAWDVUUDQIDHNFP-UHFFFAOYSA-N
XLogP0.04
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloropyridazin-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 16777824
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one
CID 112731800
(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
CID 28875657
6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid
CID 63262742
3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 60712555
1-pyrazin-2-ylimidazole-2-carboxylic acid
CID 130609995
5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid
CID 61389260
2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
CID 62311866
2-amino-3,3-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 76894907
2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 106468632
1-(1-pyrazin-2-ylpiperidin-2-yl)ethanone
CID 63845687

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid (CID 81042683) is 6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(c2cnccn2)C(=O)CC1.
What is the InChIKey of 6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is AWDVUUDQIDHNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-8-2-1-6(9(15)16)12-13(8)7-5-10-3-4-11-7/h3-5H,1-2H2,(H,15,16).
What are the key properties of 6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 220.19 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 81042683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).