selanyl(1,3,5-triazin-2-yl)cyanamide

C4H3N5Se — CID 174991847

IUPACselanyl(1,3,5-triazin-2-yl)cyanamide
SMILESN#CN([SeH])c1ncncn1
InChIInChI=1S/C4H3N5Se/c5-1-9(10)4-7-2-6-3-8-4/h2-3,10H
InChIKeyXOKYHLNHXFSWDN-UHFFFAOYSA-N
MW200.06 g/mol
LogP-1.03
Rot. Bonds1

About selanyl(1,3,5-triazin-2-yl)cyanamide

selanyl(1,3,5-triazin-2-yl)cyanamide (PubChem CID 174991847) has the molecular formula C4H3N5Se and a molecular weight of 200.06 g/mol. Its IUPAC name is selanyl(1,3,5-triazin-2-yl)cyanamide.

Molecular Properties

Compound Nameselanyl(1,3,5-triazin-2-yl)cyanamide
PubChem CID174991847
Molecular FormulaC4H3N5Se
Molecular Weight200.06 g/mol
Exact Mass200.96
IUPAC Nameselanyl(1,3,5-triazin-2-yl)cyanamide
SMILESN#CN([SeH])c1ncncn1
InChIInChI=1S/C4H3N5Se/c5-1-9(10)4-7-2-6-3-8-4/h2-3,10H
InChIKeyXOKYHLNHXFSWDN-UHFFFAOYSA-N
XLogP-1.03
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.06
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of selanyl(1,3,5-triazin-2-yl)cyanamide?
The IUPAC name of selanyl(1,3,5-triazin-2-yl)cyanamide (CID 174991847) is selanyl(1,3,5-triazin-2-yl)cyanamide.
What is the SMILES notation for selanyl(1,3,5-triazin-2-yl)cyanamide?
The canonical SMILES for selanyl(1,3,5-triazin-2-yl)cyanamide is N#CN([SeH])c1ncncn1.
What is the InChIKey of selanyl(1,3,5-triazin-2-yl)cyanamide?
The InChIKey is XOKYHLNHXFSWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5Se/c5-1-9(10)4-7-2-6-3-8-4/h2-3,10H.
What are the key properties of selanyl(1,3,5-triazin-2-yl)cyanamide?
selanyl(1,3,5-triazin-2-yl)cyanamide has a molecular weight of 200.06 g/mol, XLogP of -1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for selanyl(1,3,5-triazin-2-yl)cyanamide is sourced from PubChem (CID 174991847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).