4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine

C18H16Cl2N2 — CID 91212747

IUPAC4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine
SMILESCC1=NN(C)C=C(c2ccc(Cl)cc2)C1c1ccccc1Cl
InChIInChI=1S/C18H16Cl2N2/c1-12-18(15-5-3-4-6-17(15)20)16(11-22(2)21-12)13-7-9-14(19)10-8-13/h3-11,18H,1-2H3
InChIKeyGTLWFENLINQPHZ-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.44
Rot. Bonds2

About 4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine

4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine (PubChem CID 91212747) has the molecular formula C18H16Cl2N2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine
PubChem CID91212747
Molecular FormulaC18H16Cl2N2
Molecular Weight331.25 g/mol
Exact Mass330.07
IUPAC Name4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine
SMILESCC1=NN(C)C=C(c2ccc(Cl)cc2)C1c1ccccc1Cl
InChIInChI=1S/C18H16Cl2N2/c1-12-18(15-5-3-4-6-17(15)20)16(11-22(2)21-12)13-7-9-14(19)10-8-13/h3-11,18H,1-2H3
InChIKeyGTLWFENLINQPHZ-UHFFFAOYSA-N
XLogP5.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine?
The IUPAC name of 4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine (CID 91212747) is 4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine?
The canonical SMILES for 4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine is CC1=NN(C)C=C(c2ccc(Cl)cc2)C1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine?
The InChIKey is GTLWFENLINQPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2/c1-12-18(15-5-3-4-6-17(15)20)16(11-22(2)21-12)13-7-9-14(19)10-8-13/h3-11,18H,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine?
4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine has a molecular weight of 331.25 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3-dimethyl-4H-pyridazine is sourced from PubChem (CID 91212747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).