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

C17H22N8 — CID 72704117

IUPAC2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCn1nc(N2CCCC2)nc1/C=C/c1nc2c(C)ncc(C)n2n1
InChIInChI=1S/C17H22N8/c1-4-24-15(20-17(22-24)23-9-5-6-10-23)8-7-14-19-16-13(3)18-11-12(2)25(16)21-14/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+
InChIKeyNTEBLLBKOKDZNU-BQYQJAHWSA-N
MW338.42 g/mol
LogP2.12
Rot. Bonds4

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

2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 72704117) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID72704117
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCn1nc(N2CCCC2)nc1/C=C/c1nc2c(C)ncc(C)n2n1
InChIInChI=1S/C17H22N8/c1-4-24-15(20-17(22-24)23-9-5-6-10-23)8-7-14-19-16-13(3)18-11-12(2)25(16)21-14/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+
InChIKeyNTEBLLBKOKDZNU-BQYQJAHWSA-N
XLogP2.12
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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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
5,6,8-Trimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 72704899
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 72704117) is 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is CCn1nc(N2CCCC2)nc1/C=C/c1nc2c(C)ncc(C)n2n1.
What is the InChIKey of 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is NTEBLLBKOKDZNU-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H22N8/c1-4-24-15(20-17(22-24)23-9-5-6-10-23)8-7-14-19-16-13(3)18-11-12(2)25(16)21-14/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+.
What are the key properties of 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 338.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 72704117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).