1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide

C18H12Cl2N6O2 — CID 134130344

IUPAC1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N6O2/c19-10-1-5-12(6-2-10)25-16-14(9-22-25)15(17(27)23-21)24-26(18(16)28)13-7-3-11(20)4-8-13/h1-9H,21H2,(H,23,27)
InChIKeySBRHSRXUDZYWSR-UHFFFAOYSA-N
MW415.24 g/mol
LogP2.48
Rot. Bonds3

About 1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide

1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide (PubChem CID 134130344) has the molecular formula C18H12Cl2N6O2 and a molecular weight of 415.24 g/mol. Its IUPAC name is 1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide.

Molecular Properties

Compound Name1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide
PubChem CID134130344
Molecular FormulaC18H12Cl2N6O2
Molecular Weight415.24 g/mol
Exact Mass414.04
IUPAC Name1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N6O2/c19-10-1-5-12(6-2-10)25-16-14(9-22-25)15(17(27)23-21)24-26(18(16)28)13-7-3-11(20)4-8-13/h1-9H,21H2,(H,23,27)
InChIKeySBRHSRXUDZYWSR-UHFFFAOYSA-N
XLogP2.48
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide?
The IUPAC name of 1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide (CID 134130344) is 1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide.
What is the SMILES notation for 1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide?
The canonical SMILES for 1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide is NNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide?
The InChIKey is SBRHSRXUDZYWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N6O2/c19-10-1-5-12(6-2-10)25-16-14(9-22-25)15(17(27)23-21)24-26(18(16)28)13-7-3-11(20)4-8-13/h1-9H,21H2,(H,23,27).
What are the key properties of 1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide?
1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide has a molecular weight of 415.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-chlorophenyl)-7-oxopyrazolo[4,5-d]pyridazine-4-carbohydrazide is sourced from PubChem (CID 134130344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).