[2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide

C6H6N6 — CID 153284664

IUPAC[2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide
SMILES[C-]#[N+]NC1C(NC#N)C1NC#N
InChIInChI=1S/C6H6N6/c1-9-12-6-4(10-2-7)5(6)11-3-8/h4-6,10-12H
InChIKeyGNLFMBDDYFYZFK-UHFFFAOYSA-N
MW162.16 g/mol
LogP-1.33
Rot. Bonds3

About [2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide

[2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide (PubChem CID 153284664) has the molecular formula C6H6N6 and a molecular weight of 162.16 g/mol. Its IUPAC name is [2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide.

Molecular Properties

Compound Name[2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide
PubChem CID153284664
Molecular FormulaC6H6N6
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name[2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide
SMILES[C-]#[N+]NC1C(NC#N)C1NC#N
InChIInChI=1S/C6H6N6/c1-9-12-6-4(10-2-7)5(6)11-3-8/h4-6,10-12H
InChIKeyGNLFMBDDYFYZFK-UHFFFAOYSA-N
XLogP-1.33
TPSA88.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide?
The IUPAC name of [2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide (CID 153284664) is [2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide.
What is the SMILES notation for [2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide?
The canonical SMILES for [2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide is [C-]#[N+]NC1C(NC#N)C1NC#N.
What is the InChIKey of [2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide?
The InChIKey is GNLFMBDDYFYZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6/c1-9-12-6-4(10-2-7)5(6)11-3-8/h4-6,10-12H.
What are the key properties of [2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide?
[2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide has a molecular weight of 162.16 g/mol, XLogP of -1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyanoamino)-3-(isocyanoamino)cyclopropyl]cyanamide is sourced from PubChem (CID 153284664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).