4H-1,4-selenazine

C4H5NSe — CID 135083981

IUPAC4H-1,4-selenazine
SMILESC1=C[Se]C=CN1
InChIInChI=1S/C4H5NSe/c1-3-6-4-2-5-1/h1-5H
InChIKeyBIOUFHSZQIKGHT-UHFFFAOYSA-N
MW146.05 g/mol
LogP0.24
Rot. Bonds

About 4H-1,4-selenazine

4H-1,4-selenazine (PubChem CID 135083981) has the molecular formula C4H5NSe and a molecular weight of 146.05 g/mol. Its IUPAC name is 4H-1,4-selenazine.

Molecular Properties

Compound Name4H-1,4-selenazine
PubChem CID135083981
Molecular FormulaC4H5NSe
Molecular Weight146.05 g/mol
Exact Mass146.96
IUPAC Name4H-1,4-selenazine
SMILESC1=C[Se]C=CN1
InChIInChI=1S/C4H5NSe/c1-3-6-4-2-5-1/h1-5H
InChIKeyBIOUFHSZQIKGHT-UHFFFAOYSA-N
XLogP0.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.05
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4H-1,4-selenazine?
The IUPAC name of 4H-1,4-selenazine (CID 135083981) is 4H-1,4-selenazine.
What is the SMILES notation for 4H-1,4-selenazine?
The canonical SMILES for 4H-1,4-selenazine is C1=C[Se]C=CN1.
What is the InChIKey of 4H-1,4-selenazine?
The InChIKey is BIOUFHSZQIKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NSe/c1-3-6-4-2-5-1/h1-5H.
What are the key properties of 4H-1,4-selenazine?
4H-1,4-selenazine has a molecular weight of 146.05 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,4-selenazine is sourced from PubChem (CID 135083981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).