6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine

C19H17Cl2N3O — CID 71581715

IUPAC6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine
SMILESCc1cc(C)c(Oc2cc(Nc3ccc(Cl)cc3)nnc2Cl)c(C)c1
InChIInChI=1S/C19H17Cl2N3O/c1-11-8-12(2)18(13(3)9-11)25-16-10-17(23-24-19(16)21)22-15-6-4-14(20)5-7-15/h4-10H,1-3H3,(H,22,23)
InChIKeyIHJGQFZTKDAKIK-UHFFFAOYSA-N
MW374.27 g/mol
LogP6.24
Rot. Bonds4

About 6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine

6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine (PubChem CID 71581715) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine
PubChem CID71581715
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine
SMILESCc1cc(C)c(Oc2cc(Nc3ccc(Cl)cc3)nnc2Cl)c(C)c1
InChIInChI=1S/C19H17Cl2N3O/c1-11-8-12(2)18(13(3)9-11)25-16-10-17(23-24-19(16)21)22-15-6-4-14(20)5-7-15/h4-10H,1-3H3,(H,22,23)
InChIKeyIHJGQFZTKDAKIK-UHFFFAOYSA-N
XLogP6.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine
CID 50739348
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
N-(4-chlorophenyl)-4-methylpyridin-2-amine
CID 53414585
6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid
CID 117102945
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
CID 134910071
6-chloro-N-(4-methylphenyl)pyridazin-3-amine
CID 6409839
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
5-N-(4-chlorophenyl)-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966011
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine (CID 71581715) is 6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine is Cc1cc(C)c(Oc2cc(Nc3ccc(Cl)cc3)nnc2Cl)c(C)c1.
What is the InChIKey of 6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine?
The InChIKey is IHJGQFZTKDAKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-11-8-12(2)18(13(3)9-11)25-16-10-17(23-24-19(16)21)22-15-6-4-14(20)5-7-15/h4-10H,1-3H3,(H,22,23).
What are the key properties of 6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine?
6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine has a molecular weight of 374.27 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine is sourced from PubChem (CID 71581715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).