3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C16H20N8 — CID 172903164

IUPAC3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2c(N3CC4CC3CN4CCn3cccn3)nccn12
InChIInChI=1S/C16H20N8/c1-12-19-20-16-15(17-4-6-23(12)16)24-11-13-9-14(24)10-21(13)7-8-22-5-2-3-18-22/h2-6,13-14H,7-11H2,1H3
InChIKeyJOXLUEPMIGHKAG-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.59
Rot. Bonds4

About 3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine

3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 172903164) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID172903164
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2c(N3CC4CC3CN4CCn3cccn3)nccn12
InChIInChI=1S/C16H20N8/c1-12-19-20-16-15(17-4-6-23(12)16)24-11-13-9-14(24)10-21(13)7-8-22-5-2-3-18-22/h2-6,13-14H,7-11H2,1H3
InChIKeyJOXLUEPMIGHKAG-UHFFFAOYSA-N
XLogP0.59
TPSA67.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 175650622
2-(3-fluoro-2-pyridinyl)-5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 172899537
8-(2,5-diethylpiperazin-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 64979253
N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine
CID 83105530
2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine
CID 81209530
3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 165432242
[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165435128
3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 155942767
8-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 103198327
8-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 115314782
N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
CID 167971004
1-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
CID 167892498

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 172903164) is 3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nnc2c(N3CC4CC3CN4CCn3cccn3)nccn12.
What is the InChIKey of 3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JOXLUEPMIGHKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-12-19-20-16-15(17-4-6-23(12)16)24-11-13-9-14(24)10-21(13)7-8-22-5-2-3-18-22/h2-6,13-14H,7-11H2,1H3.
What are the key properties of 3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 324.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[5-(2-pyrazol-1-ylethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 172903164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).