6-diazo-5-iminocyclohex-2-en-1-amine

C6H8N4 — CID 57136356

IUPAC6-diazo-5-iminocyclohex-2-en-1-amine
SMILES[H]/N=C1\CC=CC(N)C1=[N+]=[N-]
InChIInChI=1S/C6H8N4/c7-4-2-1-3-5(8)6(4)10-9/h1-2,4,8H,3,7H2/b8-5+
InChIKeyUFLBDLWTONROQG-VMPITWQZSA-N
MW136.16 g/mol
LogP-0.04
Rot. Bonds

About 6-diazo-5-iminocyclohex-2-en-1-amine

6-diazo-5-iminocyclohex-2-en-1-amine (PubChem CID 57136356) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 6-diazo-5-iminocyclohex-2-en-1-amine.

Molecular Properties

Compound Name6-diazo-5-iminocyclohex-2-en-1-amine
PubChem CID57136356
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name6-diazo-5-iminocyclohex-2-en-1-amine
SMILES[H]/N=C1\CC=CC(N)C1=[N+]=[N-]
InChIInChI=1S/C6H8N4/c7-4-2-1-3-5(8)6(4)10-9/h1-2,4,8H,3,7H2/b8-5+
InChIKeyUFLBDLWTONROQG-VMPITWQZSA-N
XLogP-0.04
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Iminocyclohex-3-en-1-amine
CID 91537045
4-Iminocyclohex-2-en-1-amine
CID 123227294
4-Iminocyclohex-5-ene-1,1,2-triamine
CID 170279429
4-Iodoiminocyclohex-5-ene-1,1,2-triamine
CID 174138908

Frequently Asked Questions

What is the IUPAC name of 6-diazo-5-iminocyclohex-2-en-1-amine?
The IUPAC name of 6-diazo-5-iminocyclohex-2-en-1-amine (CID 57136356) is 6-diazo-5-iminocyclohex-2-en-1-amine.
What is the SMILES notation for 6-diazo-5-iminocyclohex-2-en-1-amine?
The canonical SMILES for 6-diazo-5-iminocyclohex-2-en-1-amine is [H]/N=C1\CC=CC(N)C1=[N+]=[N-].
What is the InChIKey of 6-diazo-5-iminocyclohex-2-en-1-amine?
The InChIKey is UFLBDLWTONROQG-VMPITWQZSA-N. The full InChI is InChI=1S/C6H8N4/c7-4-2-1-3-5(8)6(4)10-9/h1-2,4,8H,3,7H2/b8-5+.
What are the key properties of 6-diazo-5-iminocyclohex-2-en-1-amine?
6-diazo-5-iminocyclohex-2-en-1-amine has a molecular weight of 136.16 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-5-iminocyclohex-2-en-1-amine is sourced from PubChem (CID 57136356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).