6-chloro-N,N-dimethylpyridazine-3-carboxamide

C7H8ClN3O — CID 60858206

IUPAC6-chloro-N,N-dimethylpyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C7H8ClN3O/c1-11(2)7(12)5-3-4-6(8)10-9-5/h3-4H,1-2H3
InChIKeyGWMVZQMITYLUFP-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.83
Rot. Bonds1

About 6-chloro-N,N-dimethylpyridazine-3-carboxamide

6-chloro-N,N-dimethylpyridazine-3-carboxamide (PubChem CID 60858206) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 6-chloro-N,N-dimethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-dimethylpyridazine-3-carboxamide
PubChem CID60858206
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name6-chloro-N,N-dimethylpyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C7H8ClN3O/c1-11(2)7(12)5-3-4-6(8)10-9-5/h3-4H,1-2H3
InChIKeyGWMVZQMITYLUFP-UHFFFAOYSA-N
XLogP0.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N,N-dimethylpyridazine-3-carboxamide (CID 60858206) is 6-chloro-N,N-dimethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N,N-dimethylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N,N-dimethylpyridazine-3-carboxamide is CN(C)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N,N-dimethylpyridazine-3-carboxamide?
The InChIKey is GWMVZQMITYLUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-11(2)7(12)5-3-4-6(8)10-9-5/h3-4H,1-2H3.
What are the key properties of 6-chloro-N,N-dimethylpyridazine-3-carboxamide?
6-chloro-N,N-dimethylpyridazine-3-carboxamide has a molecular weight of 185.61 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethylpyridazine-3-carboxamide is sourced from PubChem (CID 60858206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).