[2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide

C6H2N6 — CID 59827481

IUPAC[2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide
SMILESN#C/N=C1/C(=C=NN)/C1=N/C#N
InChIInChI=1S/C6H2N6/c7-2-10-5-4(1-12-9)6(5)11-3-8/h9H2/b10-5-,11-6-
InChIKeyQEVSJQFEVQTZQA-IEESQIRDSA-N
MW158.12 g/mol
LogP-0.69
Rot. Bonds

About [2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide

[2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide (PubChem CID 59827481) has the molecular formula C6H2N6 and a molecular weight of 158.12 g/mol. Its IUPAC name is [2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide.

Molecular Properties

Compound Name[2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide
PubChem CID59827481
Molecular FormulaC6H2N6
Molecular Weight158.12 g/mol
Exact Mass158.03
IUPAC Name[2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide
SMILESN#C/N=C1/C(=C=NN)/C1=N/C#N
InChIInChI=1S/C6H2N6/c7-2-10-5-4(1-12-9)6(5)11-3-8/h9H2/b10-5-,11-6-
InChIKeyQEVSJQFEVQTZQA-IEESQIRDSA-N
XLogP-0.69
TPSA110.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide?
The IUPAC name of [2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide (CID 59827481) is [2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide.
What is the SMILES notation for [2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide?
The canonical SMILES for [2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide is N#C/N=C1/C(=C=NN)/C1=N/C#N.
What is the InChIKey of [2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide?
The InChIKey is QEVSJQFEVQTZQA-IEESQIRDSA-N. The full InChI is InChI=1S/C6H2N6/c7-2-10-5-4(1-12-9)6(5)11-3-8/h9H2/b10-5-,11-6-.
What are the key properties of [2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide?
[2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide has a molecular weight of 158.12 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyanoimino-3-(hydrazinylidenemethylidene)cyclopropylidene]cyanamide is sourced from PubChem (CID 59827481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).