3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide

C14H13Cl2N3O — CID 103606412

IUPAC3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(Cl)nnc2Cl)c(C)c1
InChIInChI=1S/C14H13Cl2N3O/c1-7-4-8(2)12(9(3)5-7)17-14(20)10-6-11(15)18-19-13(10)16/h4-6H,1-3H3,(H,17,20)
InChIKeyUCTVSYQZKURAMS-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.96
Rot. Bonds2

About 3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide

3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide (PubChem CID 103606412) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide
PubChem CID103606412
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(Cl)nnc2Cl)c(C)c1
InChIInChI=1S/C14H13Cl2N3O/c1-7-4-8(2)12(9(3)5-7)17-14(20)10-6-11(15)18-19-13(10)16/h4-6H,1-3H3,(H,17,20)
InChIKeyUCTVSYQZKURAMS-UHFFFAOYSA-N
XLogP3.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 13456213
3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136812221
N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 13456211
3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide
CID 103606441
3,6-dichloro-N-(2,4-dichlorophenyl)pyridazine-4-carboxamide
CID 13456235
4-hydroxy-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 103863704
2-hydrazinyl-N-(2,4,6-trimethylphenyl)benzamide
CID 62235197
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
CID 13456224
3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
CID 6405267
(2,4,6-trimethylphenyl)thiourea
CID 2731118

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide (CID 103606412) is 3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide is Cc1cc(C)c(NC(=O)c2cc(Cl)nnc2Cl)c(C)c1.
What is the InChIKey of 3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide?
The InChIKey is UCTVSYQZKURAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-7-4-8(2)12(9(3)5-7)17-14(20)10-6-11(15)18-19-13(10)16/h4-6H,1-3H3,(H,17,20).
What are the key properties of 3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 3.96, 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-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 103606412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).