5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine

C21H24N8 — CID 90024886

IUPAC5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(N4CCCC4)nn3-c3ccccc3)nc12
InChIInChI=1S/C21H24N8/c1-15-14-22-16(2)20-23-18(25-28(15)20)10-11-19-24-21(27-12-6-7-13-27)26-29(19)17-8-4-3-5-9-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyTWAGIXGGYMXDRL-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.71
Rot. Bonds5

About 5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 90024886) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID90024886
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(N4CCCC4)nn3-c3ccccc3)nc12
InChIInChI=1S/C21H24N8/c1-15-14-22-16(2)20-23-18(25-28(15)20)10-11-19-24-21(27-12-6-7-13-27)26-29(19)17-8-4-3-5-9-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyTWAGIXGGYMXDRL-UHFFFAOYSA-N
XLogP2.71
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 90024886) is 5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)nn3-c3ccccc3)nc12.
What is the InChIKey of 5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is TWAGIXGGYMXDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-15-14-22-16(2)20-23-18(25-28(15)20)10-11-19-24-21(27-12-6-7-13-27)26-29(19)17-8-4-3-5-9-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3.
What are the key properties of 5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 388.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 90024886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).