N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide

C6H9N3 — CID 129288737

IUPACN'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide
SMILESC=C/N=C/N=C/N=C/C
InChIInChI=1S/C6H9N3/c1-3-7-5-9-6-8-4-2/h3-6H,1H2,2H3/b7-5+,8-4+,9-6+
InChIKeyWYRFVFMESXQDQA-BNAGSTTOSA-N
MW123.16 g/mol
LogP1.28
Rot. Bonds3

About N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide

N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide (PubChem CID 129288737) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide
PubChem CID129288737
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide
SMILESC=C/N=C/N=C/N=C/C
InChIInChI=1S/C6H9N3/c1-3-7-5-9-6-8-4-2/h3-6H,1H2,2H3/b7-5+,8-4+,9-6+
InChIKeyWYRFVFMESXQDQA-BNAGSTTOSA-N
XLogP1.28
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide?
The IUPAC name of N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide (CID 129288737) is N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide.
What is the SMILES notation for N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide?
The canonical SMILES for N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide is C=C/N=C/N=C/N=C/C.
What is the InChIKey of N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide?
The InChIKey is WYRFVFMESXQDQA-BNAGSTTOSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-7-5-9-6-8-4-2/h3-6H,1H2,2H3/b7-5+,8-4+,9-6+.
What are the key properties of N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide?
N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide has a molecular weight of 123.16 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide is sourced from PubChem (CID 129288737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).