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

C12H19N5 — CID 64577592

IUPACcyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCn2cnnc2C1
InChIInChI=1S/C12H19N5/c13-12(10-4-2-1-3-5-10)16-6-7-17-9-14-15-11(17)8-16/h9-10,13H,1-8H2/b13-12+
InChIKeyCURFAUVUHBFVQE-OUKQBFOZSA-N
MW233.32 g/mol
LogP1.65
Rot. Bonds1

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

cyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine (PubChem CID 64577592) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is cyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine.

Molecular Properties

Compound Namecyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine
PubChem CID64577592
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Namecyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCn2cnnc2C1
InChIInChI=1S/C12H19N5/c13-12(10-4-2-1-3-5-10)16-6-7-17-9-14-15-11(17)8-16/h9-10,13H,1-8H2/b13-12+
InChIKeyCURFAUVUHBFVQE-OUKQBFOZSA-N
XLogP1.65
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine?
The IUPAC name of cyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine (CID 64577592) is cyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine.
What is the SMILES notation for cyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine?
The canonical SMILES for cyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine is [H]/N=C(\C1CCCCC1)N1CCn2cnnc2C1.
What is the InChIKey of cyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine?
The InChIKey is CURFAUVUHBFVQE-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H19N5/c13-12(10-4-2-1-3-5-10)16-6-7-17-9-14-15-11(17)8-16/h9-10,13H,1-8H2/b13-12+.
What are the key properties of cyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine?
cyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine has a molecular weight of 233.32 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanimine is sourced from PubChem (CID 64577592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).