3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide

C12H9Cl2N3O — CID 13456213

IUPAC3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Cl)nnc2Cl)c1
InChIInChI=1S/C12H9Cl2N3O/c1-7-3-2-4-8(5-7)15-12(18)9-6-10(13)16-17-11(9)14/h2-6H,1H3,(H,15,18)
InChIKeyRQZBWYSYUUSMDN-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.34
Rot. Bonds2

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

3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide (PubChem CID 13456213) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
PubChem CID13456213
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Cl)nnc2Cl)c1
InChIInChI=1S/C12H9Cl2N3O/c1-7-3-2-4-8(5-7)15-12(18)9-6-10(13)16-17-11(9)14/h2-6H,1H3,(H,15,18)
InChIKeyRQZBWYSYUUSMDN-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
CID 6405267
N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 13456211
3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide
CID 103606412
N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038582
5-chloro-2-hydrazinyl-N-(3-methylphenyl)benzamide
CID 62236027
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
CID 13456224
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
N-(3-methylphenyl)pyridazine-3-carboxamide
CID 23633019
2-(3-methylanilino)-2-sulfanylideneacetamide
CID 17385629

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide (CID 13456213) is 3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide is Cc1cccc(NC(=O)c2cc(Cl)nnc2Cl)c1.
What is the InChIKey of 3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide?
The InChIKey is RQZBWYSYUUSMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-7-3-2-4-8(5-7)15-12(18)9-6-10(13)16-17-11(9)14/h2-6H,1H3,(H,15,18).
What are the key properties of 3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide has a molecular weight of 282.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 13456213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).