3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide

C9H3Cl4N5O — CID 87380086

IUPAC3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
SMILESO=C(Nc1cc(Cl)nnc1Cl)c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H3Cl4N5O/c10-5-1-3(7(12)17-15-5)9(19)14-4-2-6(11)16-18-8(4)13/h1-2H,(H,14,16,19)
InChIKeyOBYZMSVLFYAPHI-UHFFFAOYSA-N
MW338.97 g/mol
LogP3.13
Rot. Bonds2

About 3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide

3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide (PubChem CID 87380086) has the molecular formula C9H3Cl4N5O and a molecular weight of 338.97 g/mol. Its IUPAC name is 3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
PubChem CID87380086
Molecular FormulaC9H3Cl4N5O
Molecular Weight338.97 g/mol
Exact Mass336.91
IUPAC Name3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
SMILESO=C(Nc1cc(Cl)nnc1Cl)c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H3Cl4N5O/c10-5-1-3(7(12)17-15-5)9(19)14-4-2-6(11)16-18-8(4)13/h1-2H,(H,14,16,19)
InChIKeyOBYZMSVLFYAPHI-UHFFFAOYSA-N
XLogP3.13
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.97
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-N-(2,4-dichlorophenyl)pyridazine-4-carboxamide
CID 13456235
N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038582
3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide
CID 103606441
3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136812221
3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 43501013
N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 13456211
3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide
CID 103606412
3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
CID 61221964
3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide
CID 136812224
3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 13456213
N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038522
3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
CID 13456224

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide (CID 87380086) is 3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide is O=C(Nc1cc(Cl)nnc1Cl)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide?
The InChIKey is OBYZMSVLFYAPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl4N5O/c10-5-1-3(7(12)17-15-5)9(19)14-4-2-6(11)16-18-8(4)13/h1-2H,(H,14,16,19).
What are the key properties of 3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide?
3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide has a molecular weight of 338.97 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 87380086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).