ethane;4-methylpyridazine-3-carboxylic acid

C8H12N2O2 — CID 166146805

IUPACethane;4-methylpyridazine-3-carboxylic acid
SMILESCC.Cc1ccnnc1C(=O)O
InChIInChI=1S/C6H6N2O2.C2H6/c1-4-2-3-7-8-5(4)6(9)10;1-2/h2-3H,1H3,(H,9,10);1-2H3
InChIKeyZHLQENZIJJOKJO-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.51
Rot. Bonds1

About ethane;4-methylpyridazine-3-carboxylic acid

ethane;4-methylpyridazine-3-carboxylic acid (PubChem CID 166146805) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is ethane;4-methylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;4-methylpyridazine-3-carboxylic acid
PubChem CID166146805
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameethane;4-methylpyridazine-3-carboxylic acid
SMILESCC.Cc1ccnnc1C(=O)O
InChIInChI=1S/C6H6N2O2.C2H6/c1-4-2-3-7-8-5(4)6(9)10;1-2/h2-3H,1H3,(H,9,10);1-2H3
InChIKeyZHLQENZIJJOKJO-UHFFFAOYSA-N
XLogP1.51
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpyridazin-3-yl)ethanone
CID 171497098
4-fluoropyridazine-3-carboxylic acid
CID 118989539
4-bromopyridazine-3-carboxylic acid
CID 118811380
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
3,6-dimethylpyridine-2-carboxylic acid
CID 13209567
4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 90412496
4-methyl-3-(methylamino)pyridine-2-carboxylic acid
CID 169147697
3,4-dimethylpyridazine;ethane;propane
CID 164863019
ethane;4-methylbenzoic acid;3-methylpyridine-2-carboxylic acid
CID 178019084
methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate
CID 166316313
3-(bromomethyl)-4-methylpyridazine
CID 171099749
butane;3,4-dimethylpyridazine;ethane
CID 142319830

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylpyridazine-3-carboxylic acid?
The IUPAC name of ethane;4-methylpyridazine-3-carboxylic acid (CID 166146805) is ethane;4-methylpyridazine-3-carboxylic acid.
What is the SMILES notation for ethane;4-methylpyridazine-3-carboxylic acid?
The canonical SMILES for ethane;4-methylpyridazine-3-carboxylic acid is CC.Cc1ccnnc1C(=O)O.
What is the InChIKey of ethane;4-methylpyridazine-3-carboxylic acid?
The InChIKey is ZHLQENZIJJOKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.C2H6/c1-4-2-3-7-8-5(4)6(9)10;1-2/h2-3H,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;4-methylpyridazine-3-carboxylic acid?
ethane;4-methylpyridazine-3-carboxylic acid has a molecular weight of 168.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylpyridazine-3-carboxylic acid is sourced from PubChem (CID 166146805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).