2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole

C12H10N6OS — CID 18085475

IUPAC2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(CSc2n[nH]c3nc4ccccc4n23)o1
InChIInChI=1S/C12H10N6OS/c1-7-14-15-10(19-7)6-20-12-17-16-11-13-8-4-2-3-5-9(8)18(11)12/h2-5H,6H2,1H3,(H,13,16)
InChIKeyWETVZIFIPAHYMJ-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.19
Rot. Bonds3

About 2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole

2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 18085475) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID18085475
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC Name2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(CSc2n[nH]c3nc4ccccc4n23)o1
InChIInChI=1S/C12H10N6OS/c1-7-14-15-10(19-7)6-20-12-17-16-11-13-8-4-2-3-5-9(8)18(11)12/h2-5H,6H2,1H3,(H,13,16)
InChIKeyWETVZIFIPAHYMJ-UHFFFAOYSA-N
XLogP2.19
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-butyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 24650903
1-[(4-chlorophenyl)methylsulfanyl]-3H-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2617672
1-prop-2-ynylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole
CID 17190757
4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzamide
CID 25329317
5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)thiophene-2-carbonitrile
CID 166336807
1-[2-(4-methoxyphenoxy)ethylsulfanyl]-3H-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2648657
5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 18283585
1-[2-(2-fluorophenyl)sulfanylethylsulfanyl]-3H-[1,2,4]triazolo[4,3-a]benzimidazole
CID 7160511
N-(2,6-dimethylphenyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 2469586
1-(2-piperidin-1-ylethylsulfanyl)-3H-[1,2,4]triazolo[4,3-a]benzimidazole
CID 22107896
2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 18203371
2-methyl-5-[[4-phenyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 39978500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 18085475) is 2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole is Cc1nnc(CSc2n[nH]c3nc4ccccc4n23)o1.
What is the InChIKey of 2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is WETVZIFIPAHYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c1-7-14-15-10(19-7)6-20-12-17-16-11-13-8-4-2-3-5-9(8)18(11)12/h2-5H,6H2,1H3,(H,13,16).
What are the key properties of 2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 286.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 18085475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).