6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

C9H13ClN4O — CID 60859027

IUPAC6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C9H13ClN4O/c1-14(2)6-5-11-9(15)7-3-4-8(10)13-12-7/h3-4H,5-6H2,1-2H3,(H,11,15)
InChIKeyRUBHSOQMHPGDMW-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.42
Rot. Bonds4

About 6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (PubChem CID 60859027) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
PubChem CID60859027
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C9H13ClN4O/c1-14(2)6-5-11-9(15)7-3-4-8(10)13-12-7/h3-4H,5-6H2,1-2H3,(H,11,15)
InChIKeyRUBHSOQMHPGDMW-UHFFFAOYSA-N
XLogP0.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide
CID 55101967
6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 154026049
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridazine-3-carboxamide
CID 114175119
6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide
CID 61053648
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
CID 110705198
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109115410
6-chloropyridazine-3-carbohydrazide
CID 10080848
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide
CID 86026045

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (CID 60859027) is 6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is CN(C)CCNC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The InChIKey is RUBHSOQMHPGDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-14(2)6-5-11-9(15)7-3-4-8(10)13-12-7/h3-4H,5-6H2,1-2H3,(H,11,15).
What are the key properties of 6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide has a molecular weight of 228.68 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 60859027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).