2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine

C20H15ClN4 — CID 2783577

IUPAC2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine
SMILESClc1nnc(NN(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H15ClN4/c21-19-17-13-7-8-14-18(17)20(23-22-19)24-25(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,23,24)
InChIKeyWJNPPPMCHVVODI-UHFFFAOYSA-N
MW346.82 g/mol
LogP5.45
Rot. Bonds4

About 2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine

2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine (PubChem CID 2783577) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine.

Molecular Properties

Compound Name2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine
PubChem CID2783577
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC Name2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine
SMILESClc1nnc(NN(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H15ClN4/c21-19-17-13-7-8-14-18(17)20(23-22-19)24-25(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,23,24)
InChIKeyWJNPPPMCHVVODI-UHFFFAOYSA-N
XLogP5.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.82
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine?
The IUPAC name of 2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine (CID 2783577) is 2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine.
What is the SMILES notation for 2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine?
The canonical SMILES for 2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine is Clc1nnc(NN(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine?
The InChIKey is WJNPPPMCHVVODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c21-19-17-13-7-8-14-18(17)20(23-22-19)24-25(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,23,24).
What are the key properties of 2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine?
2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine has a molecular weight of 346.82 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophthalazin-1-yl)-1,1-diphenylhydrazine is sourced from PubChem (CID 2783577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).