6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid

C9H10ClN3O2 — CID 129276257

IUPAC6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnc(Cl)cc1NC1CCC1
InChIInChI=1S/C9H10ClN3O2/c10-7-4-6(11-5-2-1-3-5)8(9(14)15)13-12-7/h4-5H,1-3H2,(H,11,12)(H,14,15)
InChIKeyHDZLXJNACXZHAB-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.79
Rot. Bonds3

About 6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid

6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid (PubChem CID 129276257) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid
PubChem CID129276257
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnc(Cl)cc1NC1CCC1
InChIInChI=1S/C9H10ClN3O2/c10-7-4-6(11-5-2-1-3-5)8(9(14)15)13-12-7/h4-5H,1-3H2,(H,11,12)(H,14,15)
InChIKeyHDZLXJNACXZHAB-UHFFFAOYSA-N
XLogP1.79
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid (CID 129276257) is 6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid is O=C(O)c1nnc(Cl)cc1NC1CCC1.
What is the InChIKey of 6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid?
The InChIKey is HDZLXJNACXZHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-7-4-6(11-5-2-1-3-5)8(9(14)15)13-12-7/h4-5H,1-3H2,(H,11,12)(H,14,15).
What are the key properties of 6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid?
6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid has a molecular weight of 227.65 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 129276257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).