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

C17H13N7OS2 — CID 133488901

IUPAC6-[[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
SMILESCc1occc1-c1nnc(Sc2ccc3nnc(-c4ccsc4)n3n2)n1C
InChIInChI=1S/C17H13N7OS2/c1-10-12(5-7-25-10)16-20-21-17(23(16)2)27-14-4-3-13-18-19-15(24(13)22-14)11-6-8-26-9-11/h3-9H,1-2H3
InChIKeyLSDRGORLLBPPAA-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.70
Rot. Bonds4

About 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

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 (PubChem CID 133488901) has the molecular formula C17H13N7OS2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID133488901
Molecular FormulaC17H13N7OS2
Molecular Weight395.47 g/mol
Exact Mass395.06
IUPAC Name6-[[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
SMILESCc1occc1-c1nnc(Sc2ccc3nnc(-c4ccsc4)n3n2)n1C
InChIInChI=1S/C17H13N7OS2/c1-10-12(5-7-25-10)16-20-21-17(23(16)2)27-14-4-3-13-18-19-15(24(13)22-14)11-6-8-26-9-11/h3-9H,1-2H3
InChIKeyLSDRGORLLBPPAA-UHFFFAOYSA-N
XLogP3.70
TPSA86.93 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488799
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
[4-methyl-5-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,2,4-triazol-3-yl]methanol
CID 133385468
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 78909549
6-(2,3-dimethylpyrrolidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133492501
N-pentan-3-yl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488071
N-(dicyclopropylmethyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31185557
2-ethyl-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 31185395
5-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-ol
CID 60613638
6-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133426988

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1occc1-c1nnc(Sc2ccc3nnc(-c4ccsc4)n3n2)n1C.
What is the InChIKey of 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?
The InChIKey is LSDRGORLLBPPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7OS2/c1-10-12(5-7-25-10)16-20-21-17(23(16)2)27-14-4-3-13-18-19-15(24(13)22-14)11-6-8-26-9-11/h3-9H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 395.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 133488901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).