5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine

C17H20N8 — CID 134128219

IUPAC5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC1=CN=C(C)C2N=C(CCc3nc(-c4cnccn4)cn3C)NN12
InChIInChI=1S/C17H20N8/c1-11-8-20-12(2)17-22-15(23-25(11)17)4-5-16-21-14(10-24(16)3)13-9-18-6-7-19-13/h6-10,17H,4-5H2,1-3H3,(H,22,23)
InChIKeyUAGHYAYJEGXAAH-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.69
Rot. Bonds4

About 5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 134128219) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID134128219
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC1=CN=C(C)C2N=C(CCc3nc(-c4cnccn4)cn3C)NN12
InChIInChI=1S/C17H20N8/c1-11-8-20-12(2)17-22-15(23-25(11)17)4-5-16-21-14(10-24(16)3)13-9-18-6-7-19-13/h6-10,17H,4-5H2,1-3H3,(H,22,23)
InChIKeyUAGHYAYJEGXAAH-UHFFFAOYSA-N
XLogP1.69
TPSA83.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine (CID 134128219) is 5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine is CC1=CN=C(C)C2N=C(CCc3nc(-c4cnccn4)cn3C)NN12.
What is the InChIKey of 5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is UAGHYAYJEGXAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-11-8-20-12(2)17-22-15(23-25(11)17)4-5-16-21-14(10-24(16)3)13-9-18-6-7-19-13/h6-10,17H,4-5H2,1-3H3,(H,22,23).
What are the key properties of 5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 336.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 134128219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).