phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene

C22H21N5 — CID 5177199

IUPACphenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene
SMILESCc1nnc(C)c2c(C)n(-c3ccc(/N=N/c4ccccc4)cc3)c(C)c12
InChIInChI=1S/C22H21N5/c1-14-21-16(3)27(17(4)22(21)15(2)24-23-14)20-12-10-19(11-13-20)26-25-18-8-6-5-7-9-18/h5-13H,1-4H3/b26-25+
InChIKeyAIAWCDNHSNRQFI-OCEACIFDSA-N
MW355.45 g/mol
LogP6.07
Rot. Bonds3

About phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene

phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene (PubChem CID 5177199) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene.

Molecular Properties

Compound Namephenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene
PubChem CID5177199
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Namephenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene
SMILESCc1nnc(C)c2c(C)n(-c3ccc(/N=N/c4ccccc4)cc3)c(C)c12
InChIInChI=1S/C22H21N5/c1-14-21-16(3)27(17(4)22(21)15(2)24-23-14)20-12-10-19(11-13-20)26-25-18-8-6-5-7-9-18/h5-13H,1-4H3/b26-25+
InChIKeyAIAWCDNHSNRQFI-OCEACIFDSA-N
XLogP6.07
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1,4,5,7-tetramethyl-6-phenyl-6H-pyrrolo[3,4-d]pyridazine
CID 4874234
2-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 787583
1,4,5,7-Tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
CID 921199
2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 706754
6-(3,4-dimethylphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 804001
6-(4-bromophenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 804479
2-chloro-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 4874235
6-Benzyl-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 659734
6-(3,5-dimethylphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 946260
(2,5-Dimethyl-3-phenyl-2H-pyrazolo[4,3-b]pyridin-7-yl)-dipropyl-amine
CID 44341455
1-[4-(4-Methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine
CID 162669898
4-(1,4,5,7-Tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 674153

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene?
The IUPAC name of phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene (CID 5177199) is phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene.
What is the SMILES notation for phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene?
The canonical SMILES for phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene is Cc1nnc(C)c2c(C)n(-c3ccc(/N=N/c4ccccc4)cc3)c(C)c12.
What is the InChIKey of phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene?
The InChIKey is AIAWCDNHSNRQFI-OCEACIFDSA-N. The full InChI is InChI=1S/C22H21N5/c1-14-21-16(3)27(17(4)22(21)15(2)24-23-14)20-12-10-19(11-13-20)26-25-18-8-6-5-7-9-18/h5-13H,1-4H3/b26-25+.
What are the key properties of phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene?
phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene has a molecular weight of 355.45 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]diazene is sourced from PubChem (CID 5177199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).