2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C16H16N6O — CID 67258853

IUPAC2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3cnc(-c4ccco4)[nH]3)nc12
InChIInChI=1S/C16H16N6O/c1-10-8-17-11(2)16-20-14(21-22(10)16)6-5-12-9-18-15(19-12)13-4-3-7-23-13/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)
InChIKeyTUOGYXOOJSYGHG-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.51
Rot. Bonds4

About 2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 67258853) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID67258853
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3cnc(-c4ccco4)[nH]3)nc12
InChIInChI=1S/C16H16N6O/c1-10-8-17-11(2)16-20-14(21-22(10)16)6-5-12-9-18-15(19-12)13-4-3-7-23-13/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)
InChIKeyTUOGYXOOJSYGHG-UHFFFAOYSA-N
XLogP2.51
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 67258853) is 2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(CCc3cnc(-c4ccco4)[nH]3)nc12.
What is the InChIKey of 2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is TUOGYXOOJSYGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-10-8-17-11(2)16-20-14(21-22(10)16)6-5-12-9-18-15(19-12)13-4-3-7-23-13/h3-4,7-9H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 308.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(furan-2-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 67258853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).