5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine

C18H20N6 — CID 71491133

IUPAC5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(/C=C/c3cccc(N4CCCC4)n3)nc12
InChIInChI=1S/C18H20N6/c1-13-12-19-14(2)18-21-16(22-24(13)18)9-8-15-6-5-7-17(20-15)23-10-3-4-11-23/h5-9,12H,3-4,10-11H2,1-2H3/b9-8+
InChIKeyHMGKRIYGIBCCNG-CMDGGOBGSA-N
MW320.40 g/mol
LogP2.91
Rot. Bonds3

About 5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 71491133) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID71491133
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(/C=C/c3cccc(N4CCCC4)n3)nc12
InChIInChI=1S/C18H20N6/c1-13-12-19-14(2)18-21-16(22-24(13)18)9-8-15-6-5-7-17(20-15)23-10-3-4-11-23/h5-9,12H,3-4,10-11H2,1-2H3/b9-8+
InChIKeyHMGKRIYGIBCCNG-CMDGGOBGSA-N
XLogP2.91
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 71491133) is 5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(/C=C/c3cccc(N4CCCC4)n3)nc12.
What is the InChIKey of 5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is HMGKRIYGIBCCNG-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-12-19-14(2)18-21-16(22-24(13)18)9-8-15-6-5-7-17(20-15)23-10-3-4-11-23/h5-9,12H,3-4,10-11H2,1-2H3/b9-8+.
What are the key properties of 5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 320.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 71491133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).