3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine

C15H10N8S3 — CID 133488799

IUPAC3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1csc(Cn2nnnc2Sc2ccc3nnc(-c4ccsc4)n3n2)c1
InChIInChI=1S/C15H10N8S3/c1-2-11(25-6-1)8-22-15(18-20-21-22)26-13-4-3-12-16-17-14(23(12)19-13)10-5-7-24-9-10/h1-7,9H,8H2
InChIKeyOUYRKBYHNWJKFQ-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.10
Rot. Bonds5

About 3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine

3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133488799) has the molecular formula C15H10N8S3 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133488799
Molecular FormulaC15H10N8S3
Molecular Weight398.50 g/mol
Exact Mass398.02
IUPAC Name3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1csc(Cn2nnnc2Sc2ccc3nnc(-c4ccsc4)n3n2)c1
InChIInChI=1S/C15H10N8S3/c1-2-11(25-6-1)8-22-15(18-20-21-22)26-13-4-3-12-16-17-14(23(12)19-13)10-5-7-24-9-10/h1-7,9H,8H2
InChIKeyOUYRKBYHNWJKFQ-UHFFFAOYSA-N
XLogP3.10
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

6-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488901
5-methyl-1-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-[1,2,4]triazolo[4,3-a]quinoline
CID 133488179
2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole
CID 133488544
6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133493594
6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 26019641
5-[(2-methylphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 47120849
6-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17402376
2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 37285381
N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 32711288
6-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 24522408
N-[1-(2,4-dichlorophenyl)ethyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46639659
5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 51244559

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 133488799) is 3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine is c1csc(Cn2nnnc2Sc2ccc3nnc(-c4ccsc4)n3n2)c1.
What is the InChIKey of 3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OUYRKBYHNWJKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N8S3/c1-2-11(25-6-1)8-22-15(18-20-21-22)26-13-4-3-12-16-17-14(23(12)19-13)10-5-7-24-9-10/h1-7,9H,8H2.
What are the key properties of 3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 398.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133488799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).