3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile

C23H16N6 — CID 134093096

IUPAC3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile
SMILES[H]/N=c1\c(C#N)c(-c2ccccc2)c(/N=N/c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H16N6/c24-16-20-21(17-10-4-1-5-11-17)23(27-26-18-12-6-2-7-13-18)28-29(22(20)25)19-14-8-3-9-15-19/h1-15,25H/b25-22+,27-26+
InChIKeyZDIAQJOMENZAPO-QCGXGSKBSA-N
MW376.42 g/mol
LogP5.31
Rot. Bonds4

About 3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile

3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile (PubChem CID 134093096) has the molecular formula C23H16N6 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile
PubChem CID134093096
Molecular FormulaC23H16N6
Molecular Weight376.42 g/mol
Exact Mass376.14
IUPAC Name3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile
SMILES[H]/N=c1\c(C#N)c(-c2ccccc2)c(/N=N/c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H16N6/c24-16-20-21(17-10-4-1-5-11-17)23(27-26-18-12-6-2-7-13-18)28-29(22(20)25)19-14-8-3-9-15-19/h1-15,25H/b25-22+,27-26+
InChIKeyZDIAQJOMENZAPO-QCGXGSKBSA-N
XLogP5.31
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile
CID 5018617
5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile
CID 155562998
8-amino-7-benzoyl-3-imino-6-oxo-2-phenyl-5H-pyrido[3,2-c]pyridazine-4-carbonitrile
CID 135458218
diphenyldiazene;oxalonitrile
CID 174439181
7-imino-3-methyl-10,12-dioxo-11-phenyl-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-1,4,8-triene-8-carbonitrile
CID 102254421
2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
CID 14000355
4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile
CID 70677015
3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile
CID 15262766
5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine
CID 88584564
6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile
CID 171984585
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
CID 102168714
6,8-diamino-3-imino-2-(3-methoxyphenyl)pyrido[3,2-c]pyridazine-4,7-dicarbonitrile
CID 134914275

Frequently Asked Questions

What is the IUPAC name of 3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile?
The IUPAC name of 3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile (CID 134093096) is 3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile?
The canonical SMILES for 3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile is [H]/N=c1\c(C#N)c(-c2ccccc2)c(/N=N/c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile?
The InChIKey is ZDIAQJOMENZAPO-QCGXGSKBSA-N. The full InChI is InChI=1S/C23H16N6/c24-16-20-21(17-10-4-1-5-11-17)23(27-26-18-12-6-2-7-13-18)28-29(22(20)25)19-14-8-3-9-15-19/h1-15,25H/b25-22+,27-26+.
What are the key properties of 3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile?
3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile has a molecular weight of 376.42 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2,5-diphenyl-6-phenyldiazenylpyridazine-4-carbonitrile is sourced from PubChem (CID 134093096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).