2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C18H18N6O — CID 72709139

IUPAC2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1cccc2[nH]c(C3CC3c3nc4c(C)ncc(C)n4n3)nc12
InChIInChI=1S/C18H18N6O/c1-9-8-19-10(2)18-22-17(23-24(9)18)12-7-11(12)16-20-13-5-4-6-14(25-3)15(13)21-16/h4-6,8,11-12H,7H2,1-3H3,(H,20,21)
InChIKeyBEZCIUXXQMJEKR-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.90
Rot. Bonds3

About 2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 72709139) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID72709139
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1cccc2[nH]c(C3CC3c3nc4c(C)ncc(C)n4n3)nc12
InChIInChI=1S/C18H18N6O/c1-9-8-19-10(2)18-22-17(23-24(9)18)12-7-11(12)16-20-13-5-4-6-14(25-3)15(13)21-16/h4-6,8,11-12H,7H2,1-3H3,(H,20,21)
InChIKeyBEZCIUXXQMJEKR-UHFFFAOYSA-N
XLogP2.90
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 72709139) is 2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is COc1cccc2[nH]c(C3CC3c3nc4c(C)ncc(C)n4n3)nc12.
What is the InChIKey of 2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is BEZCIUXXQMJEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-9-8-19-10(2)18-22-17(23-24(9)18)12-7-11(12)16-20-13-5-4-6-14(25-3)15(13)21-16/h4-6,8,11-12H,7H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 334.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 72709139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).