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

C17H21N7 — CID 165415113

IUPAC5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(/C=C/c3nc(N4CCCC4)cn3C)nc12
InChIInChI=1S/C17H21N7/c1-12-10-18-13(2)17-19-14(21-24(12)17)6-7-15-20-16(11-22(15)3)23-8-4-5-9-23/h6-7,10-11H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyOBQFUBKMMJKODC-VOTSOKGWSA-N
MW323.40 g/mol
LogP2.25
Rot. Bonds3

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

5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 165415113) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID165415113
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(/C=C/c3nc(N4CCCC4)cn3C)nc12
InChIInChI=1S/C17H21N7/c1-12-10-18-13(2)17-19-14(21-24(12)17)6-7-15-20-16(11-22(15)3)23-8-4-5-9-23/h6-7,10-11H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyOBQFUBKMMJKODC-VOTSOKGWSA-N
XLogP2.25
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
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
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 5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 165415113) is 5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(/C=C/c3nc(N4CCCC4)cn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is OBQFUBKMMJKODC-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H21N7/c1-12-10-18-13(2)17-19-14(21-24(12)17)6-7-15-20-16(11-22(15)3)23-8-4-5-9-23/h6-7,10-11H,4-5,8-9H2,1-3H3/b7-6+.
What are the key properties of 5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 323.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[(E)-2-(1-methyl-4-pyrrolidin-1-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 165415113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).