1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole

C10H10N4S — CID 1263918

IUPAC1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole
SMILESCCSc1n[nH]c2nc3ccccc3n12
InChIInChI=1S/C10H10N4S/c1-2-15-10-13-12-9-11-7-5-3-4-6-8(7)14(9)10/h3-6H,2H2,1H3,(H,11,12)
InChIKeyBBQNJVMJFMZWON-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.32
Rot. Bonds2

About 1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole

1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole (PubChem CID 1263918) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole.

Molecular Properties

Compound Name1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole
PubChem CID1263918
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole
SMILESCCSc1n[nH]c2nc3ccccc3n12
InChIInChI=1S/C10H10N4S/c1-2-15-10-13-12-9-11-7-5-3-4-6-8(7)14(9)10/h3-6H,2H2,1H3,(H,11,12)
InChIKeyBBQNJVMJFMZWON-UHFFFAOYSA-N
XLogP2.32
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole?
The IUPAC name of 1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole (CID 1263918) is 1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole.
What is the SMILES notation for 1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole?
The canonical SMILES for 1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole is CCSc1n[nH]c2nc3ccccc3n12.
What is the InChIKey of 1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole?
The InChIKey is BBQNJVMJFMZWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-2-15-10-13-12-9-11-7-5-3-4-6-8(7)14(9)10/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of 1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole?
1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole has a molecular weight of 218.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole is sourced from PubChem (CID 1263918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).