1H-[1,2,4]triazolo[1,5-a]benzimidazole

C8H6N4 — CID 781028

IUPAC1H-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESc1ccc2c(c1)nc1nc[nH]n12
InChIInChI=1S/C8H6N4/c1-2-4-7-6(3-1)11-8-9-5-10-12(7)8/h1-5H,(H,9,10,11)
InChIKeyUHMYOSZMUIJCFW-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.21
Rot. Bonds

About 1H-[1,2,4]triazolo[1,5-a]benzimidazole

1H-[1,2,4]triazolo[1,5-a]benzimidazole (PubChem CID 781028) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1H-[1,2,4]triazolo[1,5-a]benzimidazole.

Molecular Properties

Compound Name1H-[1,2,4]triazolo[1,5-a]benzimidazole
PubChem CID781028
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name1H-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESc1ccc2c(c1)nc1nc[nH]n12
InChIInChI=1S/C8H6N4/c1-2-4-7-6(3-1)11-8-9-5-10-12(7)8/h1-5H,(H,9,10,11)
InChIKeyUHMYOSZMUIJCFW-UHFFFAOYSA-N
XLogP1.21
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-[1,2,4]triazolo[1,5-a]benzimidazole?
The IUPAC name of 1H-[1,2,4]triazolo[1,5-a]benzimidazole (CID 781028) is 1H-[1,2,4]triazolo[1,5-a]benzimidazole.
What is the SMILES notation for 1H-[1,2,4]triazolo[1,5-a]benzimidazole?
The canonical SMILES for 1H-[1,2,4]triazolo[1,5-a]benzimidazole is c1ccc2c(c1)nc1nc[nH]n12.
What is the InChIKey of 1H-[1,2,4]triazolo[1,5-a]benzimidazole?
The InChIKey is UHMYOSZMUIJCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c1-2-4-7-6(3-1)11-8-9-5-10-12(7)8/h1-5H,(H,9,10,11).
What are the key properties of 1H-[1,2,4]triazolo[1,5-a]benzimidazole?
1H-[1,2,4]triazolo[1,5-a]benzimidazole has a molecular weight of 158.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1,2,4]triazolo[1,5-a]benzimidazole is sourced from PubChem (CID 781028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).