3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

C11H13N5 — CID 2331358

IUPAC3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
SMILESc1cnc(-c2nnc3n2CCCCC3)cn1
InChIInChI=1S/C11H13N5/c1-2-4-10-14-15-11(16(10)7-3-1)9-8-12-5-6-13-9/h5-6,8H,1-4,7H2
InChIKeyIJPJRCPNTWIDLD-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.46
Rot. Bonds1

About 3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine (PubChem CID 2331358) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine.

Molecular Properties

Compound Name3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
PubChem CID2331358
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
SMILESc1cnc(-c2nnc3n2CCCCC3)cn1
InChIInChI=1S/C11H13N5/c1-2-4-10-14-15-11(16(10)7-3-1)9-8-12-5-6-13-9/h5-6,8H,1-4,7H2
InChIKeyIJPJRCPNTWIDLD-UHFFFAOYSA-N
XLogP1.46
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine with MolForge

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Related Compounds

2-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-pyrazine
CID 655445
4-Ethyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869139
4-Cyclohexyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869142
3-Pyrazinyl-4,5-dihydro-1,2,4-triazolo[4,3-a]imidazole
CID 129797928
3-(3-methylpyrazin-2-yl)-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 167858259
2-(1-methyl-1H-1,2,4-triazol-3-yl)pyrazine
CID 11252170
2-(2-Methyl-1,2,4-triazol-3-yl)pyrazine
CID 12145992
2-(4-Methyl-1,2,4-triazol-3-yl)pyrazine
CID 15455218
2-(4,5-Dimethyl-1,2,4-triazol-3-yl)pyrazine
CID 18726597
2-Methyl-5-(4-methyl-5-pent-4-enyl-1,2,4-triazol-3-yl)pyrazine
CID 57691905
6-Methyl-7-methylidene-3-pyrazin-2-ylpyrazolo[5,1-c][1,2,4]triazole
CID 60065426
2-(2-Propan-2-yl-1,2,4-triazol-3-yl)pyrazine
CID 67734794

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine?
The IUPAC name of 3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine (CID 2331358) is 3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine.
What is the SMILES notation for 3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine?
The canonical SMILES for 3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine is c1cnc(-c2nnc3n2CCCCC3)cn1.
What is the InChIKey of 3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine?
The InChIKey is IJPJRCPNTWIDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-4-10-14-15-11(16(10)7-3-1)9-8-12-5-6-13-9/h5-6,8H,1-4,7H2.
What are the key properties of 3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine?
3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine has a molecular weight of 215.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine is sourced from PubChem (CID 2331358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).