Cyclopenta-1,2,4-triene-1-carboximidamide

C₆H₆N₂ — CID 118642063

About Cyclopenta-1,2,4-triene-1-carboximidamide

Cyclopenta-1,2,4-triene-1-carboximidamide (PubChem CID 118642063) has the molecular formula C₆H₆N₂ and a molecular weight of 106.13 g/mol. Its IUPAC name is cyclopenta-1,2,4-triene-1-carboximidamide.

Molecular Properties

• Compound Name: Cyclopenta-1,2,4-triene-1-carboximidamide
• PubChem CID: 118642063
• Molecular Formula: C₆H₆N₂
• Molecular Weight: 106.13 g/mol
• Exact Mass: 106.05
• IUPAC Name: cyclopenta-1,2,4-triene-1-carboximidamide
• SMILES: [H]/N=C(\N)C1=C=CC=C1
• InChI: InChI=1S/C6H6N2/c7-6(8)5-3-1-2-4-5/h1-3H,(H3,7,8)
• InChIKey: ZDVXAIZWMJWAOL-UHFFFAOYSA-N
• XLogP: 0.57
• TPSA: 49.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	106.13
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Cyclopenta-1,2,4-triene-1-carboximidamide?

The IUPAC name of Cyclopenta-1,2,4-triene-1-carboximidamide (CID 118642063) is cyclopenta-1,2,4-triene-1-carboximidamide.

What is the SMILES notation for Cyclopenta-1,2,4-triene-1-carboximidamide?

The canonical SMILES for Cyclopenta-1,2,4-triene-1-carboximidamide is [H]/N=C(\N)C1=C=CC=C1.

What is the InChIKey of Cyclopenta-1,2,4-triene-1-carboximidamide?

The InChIKey is ZDVXAIZWMJWAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c7-6(8)5-3-1-2-4-5/h1-3H,(H3,7,8).

What are the key properties of Cyclopenta-1,2,4-triene-1-carboximidamide?

Cyclopenta-1,2,4-triene-1-carboximidamide has a molecular weight of 106.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclopenta-1,2,4-triene-1-carboximidamide is sourced from PubChem (CID 118642063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118642063 — identifiers, structure, computed properties (public domain)

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