2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide

C7H12N6 — CID 161486033

IUPAC2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide
SMILES[H]/N=C(\C(N)=N/N=N/[H])C1=C(N)CCC1
InChIInChI=1S/C7H12N6/c8-5-3-1-2-4(5)6(9)7(10)12-13-11/h9H,1-3,8H2,(H3,10,11,12)/b9-6-
InChIKeyWUEVUUKJVDIQDX-TWGQIWQCSA-N
MW180.22 g/mol
LogP0.71
Rot. Bonds3

About 2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide

2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide (PubChem CID 161486033) has the molecular formula C7H12N6 and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide.

Molecular Properties

Compound Name2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide
PubChem CID161486033
Molecular FormulaC7H12N6
Molecular Weight180.22 g/mol
Exact Mass180.11
IUPAC Name2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide
SMILES[H]/N=C(\C(N)=N/N=N/[H])C1=C(N)CCC1
InChIInChI=1S/C7H12N6/c8-5-3-1-2-4(5)6(9)7(10)12-13-11/h9H,1-3,8H2,(H3,10,11,12)/b9-6-
InChIKeyWUEVUUKJVDIQDX-TWGQIWQCSA-N
XLogP0.71
TPSA124.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide?
The IUPAC name of 2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide (CID 161486033) is 2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide.
What is the SMILES notation for 2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide?
The canonical SMILES for 2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide is [H]/N=C(\C(N)=N/N=N/[H])C1=C(N)CCC1.
What is the InChIKey of 2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide?
The InChIKey is WUEVUUKJVDIQDX-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H12N6/c8-5-3-1-2-4(5)6(9)7(10)12-13-11/h9H,1-3,8H2,(H3,10,11,12)/b9-6-.
What are the key properties of 2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide?
2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide has a molecular weight of 180.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide is sourced from PubChem (CID 161486033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).