methyliminocyanamide

C2H3N3 — CID 91505024

About methyliminocyanamide

methyliminocyanamide (PubChem CID 91505024) has the molecular formula C2H3N3 and a molecular weight of 69.07 g/mol. Its IUPAC name is methyliminocyanamide.

Molecular Properties

• Compound Name: methyliminocyanamide
• PubChem CID: 91505024
• Molecular Formula: C2H3N3
• Molecular Weight: 69.07 g/mol
• Exact Mass: 69.03
• IUPAC Name: methyliminocyanamide
• SMILES: C/N=N/C#N
• InChI: InChI=1S/C2H3N3/c1-4-5-2-3/h1H3/b5-4+
• InChIKey: UEIADPFYBRUMTM-SNAWJCMRSA-N
• XLogP: 0.55
• TPSA: 48.51 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	69.07
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyliminocyanamide?

The IUPAC name of methyliminocyanamide (CID 91505024) is methyliminocyanamide.

What is the SMILES notation for methyliminocyanamide?

The canonical SMILES for methyliminocyanamide is C/N=N/C#N.

What is the InChIKey of methyliminocyanamide?

The InChIKey is UEIADPFYBRUMTM-SNAWJCMRSA-N. The full InChI is InChI=1S/C2H3N3/c1-4-5-2-3/h1H3/b5-4+.

What are the key properties of methyliminocyanamide?

methyliminocyanamide has a molecular weight of 69.07 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyliminocyanamide is sourced from PubChem (CID 91505024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).