6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

C9H13BrN4O — CID 154026049

IUPAC6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc([76Br])nn1
InChIInChI=1S/C9H13BrN4O/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)/i10-4
InChIKeyICIFNKDOWBWWLR-YWNMBFHISA-N
MW269.15 g/mol
LogP0.53
Rot. Bonds4

About 6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (PubChem CID 154026049) has the molecular formula C9H13BrN4O and a molecular weight of 269.15 g/mol. Its IUPAC name is 6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
PubChem CID154026049
Molecular FormulaC9H13BrN4O
Molecular Weight269.15 g/mol
Exact Mass269.03
IUPAC Name6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc([76Br])nn1
InChIInChI=1S/C9H13BrN4O/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)/i10-4
InChIKeyICIFNKDOWBWWLR-YWNMBFHISA-N
XLogP0.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
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
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115423
N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109115358
N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide
CID 154026060
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407

Frequently Asked Questions

What is the IUPAC name of 6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (CID 154026049) is 6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is CN(C)CCNC(=O)c1ccc([76Br])nn1.
What is the InChIKey of 6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The InChIKey is ICIFNKDOWBWWLR-YWNMBFHISA-N. The full InChI is InChI=1S/C9H13BrN4O/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)/i10-4.
What are the key properties of 6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide has a molecular weight of 269.15 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 154026049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).