2-Selenoethylguanidine

C3H8N3Se — CID 6328329

IUPAC—
SMILESNC(N)=NCC[Se]
InChIInChI=1S/C3H8N3Se/c4-3(5)6-1-2-7/h1-2H2,(H4,4,5,6)
InChIKeyDWZMJBJNZNXIRF-UHFFFAOYSA-N
MW165.08 g/mol
LogP-1.15
Rot. Bonds2

About 2-Selenoethylguanidine

2-Selenoethylguanidine (PubChem CID 6328329) has the molecular formula C3H8N3Se and a molecular weight of 165.08 g/mol.

Molecular Properties

Compound Name2-Selenoethylguanidine
PubChem CID6328329
Molecular FormulaC3H8N3Se
Molecular Weight165.08 g/mol
Exact Mass165.99
IUPAC Name—
SMILESNC(N)=NCC[Se]
InChIInChI=1S/C3H8N3Se/c4-3(5)6-1-2-7/h1-2H2,(H4,4,5,6)
InChIKeyDWZMJBJNZNXIRF-UHFFFAOYSA-N
XLogP-1.15
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.08
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 2-Selenoethylguanidine?
The IUPAC name of 2-Selenoethylguanidine (CID 6328329) is not available.
What is the SMILES notation for 2-Selenoethylguanidine?
The canonical SMILES for 2-Selenoethylguanidine is NC(N)=NCC[Se].
What is the InChIKey of 2-Selenoethylguanidine?
The InChIKey is DWZMJBJNZNXIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N3Se/c4-3(5)6-1-2-7/h1-2H2,(H4,4,5,6).
What are the key properties of 2-Selenoethylguanidine?
2-Selenoethylguanidine has a molecular weight of 165.08 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Selenoethylguanidine is sourced from PubChem (CID 6328329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).