4-methylpyridazine-3-carboxylic acid

C6H6N2O2 — CID 19991463

IUPAC4-methylpyridazine-3-carboxylic acid
SMILESCc1ccnnc1C(=O)O
InChIInChI=1S/C6H6N2O2/c1-4-2-3-7-8-5(4)6(9)10/h2-3H,1H3,(H,9,10)
InChIKeyPSDAFTJUUSZDOB-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.48
Rot. Bonds1

About 4-methylpyridazine-3-carboxylic acid

4-methylpyridazine-3-carboxylic acid (PubChem CID 19991463) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 4-methylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-methylpyridazine-3-carboxylic acid
PubChem CID19991463
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name4-methylpyridazine-3-carboxylic acid
SMILESCc1ccnnc1C(=O)O
InChIInChI=1S/C6H6N2O2/c1-4-2-3-7-8-5(4)6(9)10/h2-3H,1H3,(H,9,10)
InChIKeyPSDAFTJUUSZDOB-UHFFFAOYSA-N
XLogP0.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyridazine-3-carboxylic acid?
The IUPAC name of 4-methylpyridazine-3-carboxylic acid (CID 19991463) is 4-methylpyridazine-3-carboxylic acid.
What is the SMILES notation for 4-methylpyridazine-3-carboxylic acid?
The canonical SMILES for 4-methylpyridazine-3-carboxylic acid is Cc1ccnnc1C(=O)O.
What is the InChIKey of 4-methylpyridazine-3-carboxylic acid?
The InChIKey is PSDAFTJUUSZDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-4-2-3-7-8-5(4)6(9)10/h2-3H,1H3,(H,9,10).
What are the key properties of 4-methylpyridazine-3-carboxylic acid?
4-methylpyridazine-3-carboxylic acid has a molecular weight of 138.13 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyridazine-3-carboxylic acid is sourced from PubChem (CID 19991463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).