cyclohex-4-ene-1,2,3-triimine

C6H7N3 — CID 53436011

IUPACcyclohex-4-ene-1,2,3-triimine
SMILES[H]/N=C1\C=CCC(=N\[H])/C1=N\[H]
InChIInChI=1S/C6H7N3/c7-4-2-1-3-5(8)6(4)9/h1-2,7-9H,3H2/b7-4+,8-5+,9-6-
InChIKeyJVCFGFWEEDAATR-QGEWSIJFSA-N
MW121.14 g/mol
LogP1.01
Rot. Bonds

About cyclohex-4-ene-1,2,3-triimine

cyclohex-4-ene-1,2,3-triimine (PubChem CID 53436011) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is cyclohex-4-ene-1,2,3-triimine.

Molecular Properties

Compound Namecyclohex-4-ene-1,2,3-triimine
PubChem CID53436011
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Namecyclohex-4-ene-1,2,3-triimine
SMILES[H]/N=C1\C=CCC(=N\[H])/C1=N\[H]
InChIInChI=1S/C6H7N3/c7-4-2-1-3-5(8)6(4)9/h1-2,7-9H,3H2/b7-4+,8-5+,9-6-
InChIKeyJVCFGFWEEDAATR-QGEWSIJFSA-N
XLogP1.01
TPSA71.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-4-ene-1,2,3-triimine?
The IUPAC name of cyclohex-4-ene-1,2,3-triimine (CID 53436011) is cyclohex-4-ene-1,2,3-triimine.
What is the SMILES notation for cyclohex-4-ene-1,2,3-triimine?
The canonical SMILES for cyclohex-4-ene-1,2,3-triimine is [H]/N=C1\C=CCC(=N\[H])/C1=N\[H].
What is the InChIKey of cyclohex-4-ene-1,2,3-triimine?
The InChIKey is JVCFGFWEEDAATR-QGEWSIJFSA-N. The full InChI is InChI=1S/C6H7N3/c7-4-2-1-3-5(8)6(4)9/h1-2,7-9H,3H2/b7-4+,8-5+,9-6-.
What are the key properties of cyclohex-4-ene-1,2,3-triimine?
cyclohex-4-ene-1,2,3-triimine has a molecular weight of 121.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-4-ene-1,2,3-triimine is sourced from PubChem (CID 53436011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).