2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine

C23H21N3 — CID 102432217

IUPAC2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine
SMILESCN1N=C(c2ccccc2)C(c2ccccc2)C/C1=N\c1ccccc1
InChIInChI=1S/C23H21N3/c1-26-22(24-20-15-9-4-10-16-20)17-21(18-11-5-2-6-12-18)23(25-26)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3/b24-22+
InChIKeyHXUWBDDOQSGYCA-ZNTNEXAZSA-N
MW339.44 g/mol
LogP5.24
Rot. Bonds3

About 2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine

2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine (PubChem CID 102432217) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine.

Molecular Properties

Compound Name2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine
PubChem CID102432217
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine
SMILESCN1N=C(c2ccccc2)C(c2ccccc2)C/C1=N\c1ccccc1
InChIInChI=1S/C23H21N3/c1-26-22(24-20-15-9-4-10-16-20)17-21(18-11-5-2-6-12-18)23(25-26)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3/b24-22+
InChIKeyHXUWBDDOQSGYCA-ZNTNEXAZSA-N
XLogP5.24
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine?
The IUPAC name of 2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine (CID 102432217) is 2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine.
What is the SMILES notation for 2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine?
The canonical SMILES for 2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine is CN1N=C(c2ccccc2)C(c2ccccc2)C/C1=N\c1ccccc1.
What is the InChIKey of 2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine?
The InChIKey is HXUWBDDOQSGYCA-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H21N3/c1-26-22(24-20-15-9-4-10-16-20)17-21(18-11-5-2-6-12-18)23(25-26)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3/b24-22+.
What are the key properties of 2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine?
2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine has a molecular weight of 339.44 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,5,6-triphenyl-4,5-dihydropyridazin-3-imine is sourced from PubChem (CID 102432217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).