3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole

C18H15N7O — CID 136960291

IUPAC3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3ccc(-c4nc5c(C)ncc(C)n5n4)cc3[nH]2)no1
InChIInChI=1S/C18H15N7O/c1-9-8-19-11(3)18-22-16(23-25(9)18)12-4-5-13-14(7-12)21-17(20-13)15-6-10(2)26-24-15/h4-8H,1-3H3,(H,20,21)
InChIKeyOZFFSBKJCAYWII-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.25
Rot. Bonds2

About 3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole

3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole (PubChem CID 136960291) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole
PubChem CID136960291
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3ccc(-c4nc5c(C)ncc(C)n5n4)cc3[nH]2)no1
InChIInChI=1S/C18H15N7O/c1-9-8-19-11(3)18-22-16(23-25(9)18)12-4-5-13-14(7-12)21-17(20-13)15-6-10(2)26-24-15/h4-8H,1-3H3,(H,20,21)
InChIKeyOZFFSBKJCAYWII-UHFFFAOYSA-N
XLogP3.25
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,8-dimethyl-2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525812
2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole
CID 129051760
2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 129051764
2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525782
3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole
CID 135538073
2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole
CID 135875994
3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole
CID 166216217
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 104639104
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 77410364
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5,6-dimethylquinoxaline
CID 54755850
3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 118624494

Frequently Asked Questions

What is the IUPAC name of 3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole (CID 136960291) is 3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole is Cc1cc(-c2nc3ccc(-c4nc5c(C)ncc(C)n5n4)cc3[nH]2)no1.
What is the InChIKey of 3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is OZFFSBKJCAYWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c1-9-8-19-11(3)18-22-16(23-25(9)18)12-4-5-13-14(7-12)21-17(20-13)15-6-10(2)26-24-15/h4-8H,1-3H3,(H,20,21).
What are the key properties of 3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole?
3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 345.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 136960291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).