6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine

C20H16N8S — CID 16582325

IUPAC6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
SMILESCc1ccc(-n2c(Sc3ccc4nnnn4n3)nnc2-c2ccccc2)cc1C
InChIInChI=1S/C20H16N8S/c1-13-8-9-16(12-14(13)2)27-19(15-6-4-3-5-7-15)22-23-20(27)29-18-11-10-17-21-25-26-28(17)24-18/h3-12H,1-2H3
InChIKeyLIDGUVUAQFXDIV-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.54
Rot. Bonds4

About 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine

6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine (PubChem CID 16582325) has the molecular formula C20H16N8S and a molecular weight of 400.47 g/mol. Its IUPAC name is 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
PubChem CID16582325
Molecular FormulaC20H16N8S
Molecular Weight400.47 g/mol
Exact Mass400.12
IUPAC Name6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
SMILESCc1ccc(-n2c(Sc3ccc4nnnn4n3)nnc2-c2ccccc2)cc1C
InChIInChI=1S/C20H16N8S/c1-13-8-9-16(12-14(13)2)27-19(15-6-4-3-5-7-15)22-23-20(27)29-18-11-10-17-21-25-26-28(17)24-18/h3-12H,1-2H3
InChIKeyLIDGUVUAQFXDIV-UHFFFAOYSA-N
XLogP3.54
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine with MolForge

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Related Compounds

6-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
CID 25333103
6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
CID 25336083
2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine
CID 4215434
3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine
CID 18288196
6-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133432992
5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
CID 55441820
5-[1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 55530401
2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 37078179
3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one
CID 17417028
N-(3,5-dimethylphenyl)-2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126101570
5-[(1S)-1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 35163510
N'-acetyl-2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CID 8870588

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine (CID 16582325) is 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine is Cc1ccc(-n2c(Sc3ccc4nnnn4n3)nnc2-c2ccccc2)cc1C.
What is the InChIKey of 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
The InChIKey is LIDGUVUAQFXDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8S/c1-13-8-9-16(12-14(13)2)27-19(15-6-4-3-5-7-15)22-23-20(27)29-18-11-10-17-21-25-26-28(17)24-18/h3-12H,1-2H3.
What are the key properties of 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine has a molecular weight of 400.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 16582325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).