cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C12H16N4O — CID 126470550

IUPACcyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCn2cnnc2C1
InChIInChI=1S/C12H16N4O/c17-12(10-4-2-1-3-5-10)15-6-7-16-9-13-14-11(16)8-15/h1-2,9-10H,3-8H2
InChIKeyHCGQMIYJCSJPHX-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.98
Rot. Bonds1

About cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 126470550) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID126470550
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Namecyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCn2cnnc2C1
InChIInChI=1S/C12H16N4O/c17-12(10-4-2-1-3-5-10)15-6-7-16-9-13-14-11(16)8-15/h1-2,9-10H,3-8H2
InChIKeyHCGQMIYJCSJPHX-UHFFFAOYSA-N
XLogP0.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 126470550) is cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is O=C(C1CC=CCC1)N1CCn2cnnc2C1.
What is the InChIKey of cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is HCGQMIYJCSJPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12(10-4-2-1-3-5-10)15-6-7-16-9-13-14-11(16)8-15/h1-2,9-10H,3-8H2.
What are the key properties of cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 232.29 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 126470550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).