CID 6327946

C5H5N2OSe — CID 6327946

IUPAC—
SMILESCc1cnc([Se])[nH]c1=O
InChIInChI=1S/C5H5N2OSe/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H,6,7,8)
InChIKeyLLWFJIJVMOXAFW-UHFFFAOYSA-N
MW188.07 g/mol
LogP-1.13
Rot. Bonds

About CID 6327946

CID 6327946 (PubChem CID 6327946) has the molecular formula C5H5N2OSe and a molecular weight of 188.07 g/mol.

Molecular Properties

Compound NameCID 6327946
PubChem CID6327946
Molecular FormulaC5H5N2OSe
Molecular Weight188.07 g/mol
Exact Mass188.96
IUPAC Name—
SMILESCc1cnc([Se])[nH]c1=O
InChIInChI=1S/C5H5N2OSe/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H,6,7,8)
InChIKeyLLWFJIJVMOXAFW-UHFFFAOYSA-N
XLogP-1.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 CID 6327946?
The IUPAC name of CID 6327946 (CID 6327946) is not available.
What is the SMILES notation for CID 6327946?
The canonical SMILES for CID 6327946 is Cc1cnc([Se])[nH]c1=O.
What is the InChIKey of CID 6327946?
The InChIKey is LLWFJIJVMOXAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2OSe/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H,6,7,8).
What are the key properties of CID 6327946?
CID 6327946 has a molecular weight of 188.07 g/mol, XLogP of -1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6327946 is sourced from PubChem (CID 6327946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).