6-(aminomethyl)pyridazine-4-carboxylic acid

C6H7N3O2 — CID 22099266

IUPAC6-(aminomethyl)pyridazine-4-carboxylic acid
SMILESNCc1cc(C(=O)O)cnn1
InChIInChI=1S/C6H7N3O2/c7-2-5-1-4(6(10)11)3-8-9-5/h1,3H,2,7H2,(H,10,11)
InChIKeyVQCWXDCPZBUVBT-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.37
Rot. Bonds2

About 6-(aminomethyl)pyridazine-4-carboxylic acid

6-(aminomethyl)pyridazine-4-carboxylic acid (PubChem CID 22099266) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-(aminomethyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(aminomethyl)pyridazine-4-carboxylic acid
PubChem CID22099266
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name6-(aminomethyl)pyridazine-4-carboxylic acid
SMILESNCc1cc(C(=O)O)cnn1
InChIInChI=1S/C6H7N3O2/c7-2-5-1-4(6(10)11)3-8-9-5/h1,3H,2,7H2,(H,10,11)
InChIKeyVQCWXDCPZBUVBT-UHFFFAOYSA-N
XLogP-0.37
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(2-Oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid
CID 118420691
Pyridazine-3-carboxylic acid
CID 269369
3-Methylpyridazine-4-carboxylic acid
CID 53414730
5-(Trifluoromethyl)pyridazine-3-carboxylic acid
CID 92042957
3,6-Dimethylpyridazine-4-carboxylic acid
CID 24277241
6-Methyl-4-pyridazinecarboxylic acid hydrochloride
CID 55300768
6-Cyclopropylpyridazine-4-carboxylic acid
CID 82414987
6-(Trifluoromethyl)pyridazine-4-carboxylic acid
CID 90456358
3-(Trifluoromethyl)pyridazine-4-carboxylic acid
CID 130741480
Pyridazine-3,4-dicarboxylic acid
CID 14596116
4-Aminopyridazine-3-carboxylic acid
CID 6402483
Pyridazine-3,5-dicarboxylic
CID 20060567

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)pyridazine-4-carboxylic acid?
The IUPAC name of 6-(aminomethyl)pyridazine-4-carboxylic acid (CID 22099266) is 6-(aminomethyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(aminomethyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 6-(aminomethyl)pyridazine-4-carboxylic acid is NCc1cc(C(=O)O)cnn1.
What is the InChIKey of 6-(aminomethyl)pyridazine-4-carboxylic acid?
The InChIKey is VQCWXDCPZBUVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-2-5-1-4(6(10)11)3-8-9-5/h1,3H,2,7H2,(H,10,11).
What are the key properties of 6-(aminomethyl)pyridazine-4-carboxylic acid?
6-(aminomethyl)pyridazine-4-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 22099266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).