6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine

C17H10Cl2N8OS — CID 24590317

IUPAC6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
SMILESClc1ccc(-c2nnc(Sc3ccc4nnnn4n3)n2Cc2ccco2)c(Cl)c1
InChIInChI=1S/C17H10Cl2N8OS/c18-10-3-4-12(13(19)8-10)16-21-22-17(26(16)9-11-2-1-7-28-11)29-15-6-5-14-20-24-25-27(14)23-15/h1-8H,9H2
InChIKeySJDVXYUVIHGTDT-UHFFFAOYSA-N
MW445.30 g/mol
LogP3.88
Rot. Bonds5

About 6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine

6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine (PubChem CID 24590317) has the molecular formula C17H10Cl2N8OS and a molecular weight of 445.30 g/mol. Its IUPAC name is 6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
PubChem CID24590317
Molecular FormulaC17H10Cl2N8OS
Molecular Weight445.30 g/mol
Exact Mass444.01
IUPAC Name6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
SMILESClc1ccc(-c2nnc(Sc3ccc4nnnn4n3)n2Cc2ccco2)c(Cl)c1
InChIInChI=1S/C17H10Cl2N8OS/c18-10-3-4-12(13(19)8-10)16-21-22-17(26(16)9-11-2-1-7-28-11)29-15-6-5-14-20-24-25-27(14)23-15/h1-8H,9H2
InChIKeySJDVXYUVIHGTDT-UHFFFAOYSA-N
XLogP3.88
TPSA99.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
CID 25336083
3-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole
CID 42329683
(2R)-2-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one
CID 2621496
2-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one
CID 4883730
3-(difluoromethyl)-6-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133443978
N-(3-chlorophenyl)-2-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4266432
3-(4-chlorophenyl)-4-(furan-2-ylmethyl)-5-methylsulfanyl-1,2,4-triazole
CID 7989436
N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 24623838
6-[[4-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133434106
2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 2409579
N-[1-(2,4-dichlorophenyl)ethyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46694179
3-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133420874

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine (CID 24590317) is 6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine is Clc1ccc(-c2nnc(Sc3ccc4nnnn4n3)n2Cc2ccco2)c(Cl)c1.
What is the InChIKey of 6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
The InChIKey is SJDVXYUVIHGTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N8OS/c18-10-3-4-12(13(19)8-10)16-21-22-17(26(16)9-11-2-1-7-28-11)29-15-6-5-14-20-24-25-27(14)23-15/h1-8H,9H2.
What are the key properties of 6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine has a molecular weight of 445.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 24590317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).