5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine

C17H18N8 — CID 165415042

IUPAC5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(/C=C/c3nc(-c4cccn4C)nn3C)nc12
InChIInChI=1S/C17H18N8/c1-11-10-18-12(2)17-19-14(21-25(11)17)7-8-15-20-16(22-24(15)4)13-6-5-9-23(13)3/h5-10H,1-4H3/b8-7+
InChIKeyXZJSZJIREFWGBR-BQYQJAHWSA-N
MW334.39 g/mol
LogP2.05
Rot. Bonds3

About 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 165415042) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID165415042
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(/C=C/c3nc(-c4cccn4C)nn3C)nc12
InChIInChI=1S/C17H18N8/c1-11-10-18-12(2)17-19-14(21-25(11)17)7-8-15-20-16(22-24(15)4)13-6-5-9-23(13)3/h5-10H,1-4H3/b8-7+
InChIKeyXZJSZJIREFWGBR-BQYQJAHWSA-N
XLogP2.05
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 165415042) is 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(/C=C/c3nc(-c4cccn4C)nn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is XZJSZJIREFWGBR-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H18N8/c1-11-10-18-12(2)17-19-14(21-25(11)17)7-8-15-20-16(22-24(15)4)13-6-5-9-23(13)3/h5-10H,1-4H3/b8-7+.
What are the key properties of 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 334.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 165415042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).