1-cyclohexyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazine

HCID 136013449
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Basic information

Standard SMILES
c1cc2c(ncc3nnc(C4CCCCC4)n32)[nH]1
InChIKey
ZVJRUPARGURZPI-UHFFFAOYSA-N
Molecular formula
C13H15N5
Average molar mass
241.29 g/mol
Monoisotopic mass
241.1327455

Names & identifiers

Preferred name
1-cyclohexyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazine
IUPAC
12-cyclohexyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

Names & synonyms

CHEMBL2322141SCHEMBL908679ZVJRUPARGURZPI-UHFFFAOYSA-NBDBM504267351-cyclohexyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazine

Database identifiers

PubChem CID
136013449
ChEMBL
CHEMBL2322141

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
58.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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