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

C20H13N7S2 — CID 133488179

IUPAC5-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
SMILESCc1cc2nnc(Sc3ccc4nnc(-c5ccsc5)n4n3)n2c2ccccc12
InChIInChI=1S/C20H13N7S2/c1-12-10-17-22-24-20(26(17)15-5-3-2-4-14(12)15)29-18-7-6-16-21-23-19(27(16)25-18)13-8-9-28-11-13/h2-11H,1H3
InChIKeyZGGKXEWBQBIXCW-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.51
Rot. Bonds3

About 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

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 (PubChem CID 133488179) has the molecular formula C20H13N7S2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID133488179
Molecular FormulaC20H13N7S2
Molecular Weight415.51 g/mol
Exact Mass415.07
IUPAC Name5-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
SMILESCc1cc2nnc(Sc3ccc4nnc(-c5ccsc5)n4n3)n2c2ccccc12
InChIInChI=1S/C20H13N7S2/c1-12-10-17-22-24-20(26(17)15-5-3-2-4-14(12)15)29-18-7-6-16-21-23-19(27(16)25-18)13-8-9-28-11-13/h2-11H,1H3
InChIKeyZGGKXEWBQBIXCW-UHFFFAOYSA-N
XLogP4.51
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

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
3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488799
6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile
CID 18133014
6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133493594
5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline
CID 14666362
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
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-phenylethanol
CID 110879321
1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
CID 2027650
7-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2612968
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 2613154
6-(3,5-dimethylphenyl)sulfanyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727433
N-ethyl-N-(2-methylphenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 18127799

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2nnc(Sc3ccc4nnc(-c5ccsc5)n4n3)n2c2ccccc12.
What is the InChIKey of 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?
The InChIKey is ZGGKXEWBQBIXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N7S2/c1-12-10-17-22-24-20(26(17)15-5-3-2-4-14(12)15)29-18-7-6-16-21-23-19(27(16)25-18)13-8-9-28-11-13/h2-11H,1H3.
What are the key properties of 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?
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 has a molecular weight of 415.51 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 133488179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).