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

C15H19FN8 — CID 72704897

IUPAC2-[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
SMILESCc1ncc(C)n2nc(CCc3nc(N4CC(F)C4)nn3C)nc12
InChIInChI=1S/C15H19FN8/c1-9-6-17-10(2)14-18-12(20-24(9)14)4-5-13-19-15(21-22(13)3)23-7-11(16)8-23/h6,11H,4-5,7-8H2,1-3H3
InChIKeyFOIOMTSGGPEMAY-UHFFFAOYSA-N
MW330.37 g/mol
LogP0.81
Rot. Bonds4

About 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

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 (PubChem CID 72704897) has the molecular formula C15H19FN8 and a molecular weight of 330.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID72704897
Molecular FormulaC15H19FN8
Molecular Weight330.37 g/mol
Exact Mass330.17
IUPAC Name2-[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
SMILESCc1ncc(C)n2nc(CCc3nc(N4CC(F)C4)nn3C)nc12
InChIInChI=1S/C15H19FN8/c1-9-6-17-10(2)14-18-12(20-24(9)14)4-5-13-19-15(21-22(13)3)23-7-11(16)8-23/h6,11H,4-5,7-8H2,1-3H3
InChIKeyFOIOMTSGGPEMAY-UHFFFAOYSA-N
XLogP0.81
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
(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
2-[2-[1-(Cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 90018313

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncc(C)n2nc(CCc3nc(N4CC(F)C4)nn3C)nc12.
What is the InChIKey of 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?
The InChIKey is FOIOMTSGGPEMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN8/c1-9-6-17-10(2)14-18-12(20-24(9)14)4-5-13-19-15(21-22(13)3)23-7-11(16)8-23/h6,11H,4-5,7-8H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 330.37 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 72704897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).