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

C15H20N8 — CID 72704325

IUPAC5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(N4CCCC4)n[nH]3)nc12
InChIInChI=1S/C15H20N8/c1-10-9-16-11(2)14-17-13(21-23(10)14)6-5-12-18-15(20-19-12)22-7-3-4-8-22/h9H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyAAHCNJBZIBCFOE-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.24
Rot. Bonds4

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

5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 72704325) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID72704325
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(N4CCCC4)n[nH]3)nc12
InChIInChI=1S/C15H20N8/c1-10-9-16-11(2)14-17-13(21-23(10)14)6-5-12-18-15(20-19-12)22-7-3-4-8-22/h9H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyAAHCNJBZIBCFOE-UHFFFAOYSA-N
XLogP1.24
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,8-Dimethyl-2-[2-[2-methyl-5-(3-methylazetidin-1-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 72703087
2-[2-[5-(3,3-Difluoroazetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 72703088
5,8-dimethyl-2-[2-[2-methyl-5-[(2S)-2-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 72703291
5,8-dimethyl-2-[2-[2-methyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 72703512
5,8-Dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 72704531
2-[2-[5-(3-Fluoroazetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 72704897
(4S)-5,8-dimethyl-2-{2-[1-methyl-3-(piperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine
CID 72705091
5,8-dimethyl-2-{2-[2-methyl-5-(2-methyl-pyrrolidin-1-yl)-2H-[1,2,4]triazol-3-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyrazine
CID 72705093
{5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-1-methyl-1H-[1,2,4]triazol-3-yl}-diethyl-amine
CID 72705286
5,8-dimethyl-2-[2-[2-methyl-5-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90016428
N-cyclopropyl-5-(2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl)-N,1-dimethyl-1H-1,2,4-triazol-3-amine
CID 90016837
5,8-Dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90018195

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 72704325) is 5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)n[nH]3)nc12.
What is the InChIKey of 5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is AAHCNJBZIBCFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-10-9-16-11(2)14-17-13(21-23(10)14)6-5-12-18-15(20-19-12)22-7-3-4-8-22/h9H,3-8H2,1-2H3,(H,18,19,20).
What are the key properties of 5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 312.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 72704325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).