cyclopenta-1,3,4-triene-1-carboximidamide

C6H6N2 — CID 118642065

IUPACcyclopenta-1,3,4-triene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C=C1
InChIInChI=1S/C6H6N2/c7-6(8)5-3-1-2-4-5/h1,3-4H,(H3,7,8)
InChIKeyWZIXSOMSIOZOOT-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.57
Rot. Bonds1

About cyclopenta-1,3,4-triene-1-carboximidamide

cyclopenta-1,3,4-triene-1-carboximidamide (PubChem CID 118642065) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is cyclopenta-1,3,4-triene-1-carboximidamide.

Molecular Properties

Compound Namecyclopenta-1,3,4-triene-1-carboximidamide
PubChem CID118642065
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Namecyclopenta-1,3,4-triene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C=C1
InChIInChI=1S/C6H6N2/c7-6(8)5-3-1-2-4-5/h1,3-4H,(H3,7,8)
InChIKeyWZIXSOMSIOZOOT-UHFFFAOYSA-N
XLogP0.57
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.57
H-Bond Donors ≤ 52
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 cyclopenta-1,3,4-triene-1-carboximidamide?
The IUPAC name of cyclopenta-1,3,4-triene-1-carboximidamide (CID 118642065) is cyclopenta-1,3,4-triene-1-carboximidamide.
What is the SMILES notation for cyclopenta-1,3,4-triene-1-carboximidamide?
The canonical SMILES for cyclopenta-1,3,4-triene-1-carboximidamide is [H]/N=C(\N)C1=CC=C=C1.
What is the InChIKey of cyclopenta-1,3,4-triene-1-carboximidamide?
The InChIKey is WZIXSOMSIOZOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c7-6(8)5-3-1-2-4-5/h1,3-4H,(H3,7,8).
What are the key properties of cyclopenta-1,3,4-triene-1-carboximidamide?
cyclopenta-1,3,4-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-1,3,4-triene-1-carboximidamide is sourced from PubChem (CID 118642065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).