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

C18H20N6O — CID 67259820

IUPAC5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ccc(-c2nc(CCc3nc4c(C)ncc(C)n4n3)cn2C)o1
InChIInChI=1S/C18H20N6O/c1-11-9-19-13(3)17-21-16(22-24(11)17)8-6-14-10-23(4)18(20-14)15-7-5-12(2)25-15/h5,7,9-10H,6,8H2,1-4H3
InChIKeyUDIOOHUQQFFZFH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.83
Rot. Bonds4

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

5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 67259820) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID67259820
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ccc(-c2nc(CCc3nc4c(C)ncc(C)n4n3)cn2C)o1
InChIInChI=1S/C18H20N6O/c1-11-9-19-13(3)17-21-16(22-24(11)17)8-6-14-10-23(4)18(20-14)15-7-5-12(2)25-15/h5,7,9-10H,6,8H2,1-4H3
InChIKeyUDIOOHUQQFFZFH-UHFFFAOYSA-N
XLogP2.83
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 67259820) is 5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ccc(-c2nc(CCc3nc4c(C)ncc(C)n4n3)cn2C)o1.
What is the InChIKey of 5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is UDIOOHUQQFFZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11-9-19-13(3)17-21-16(22-24(11)17)8-6-14-10-23(4)18(20-14)15-7-5-12(2)25-15/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 336.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-[1-methyl-2-(5-methylfuran-2-yl)imidazol-4-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 67259820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).