CID 87072873

C5H6N3Se — CID 87072873

IUPAC—
SMILESCc1cnc([Se])nc1N
InChIInChI=1S/C5H6N3Se/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H2,6,7,8)
InChIKeyARAJZYNORBPBAT-UHFFFAOYSA-N
MW187.08 g/mol
LogP-0.84
Rot. Bonds

About CID 87072873

CID 87072873 (PubChem CID 87072873) has the molecular formula C5H6N3Se and a molecular weight of 187.08 g/mol.

Molecular Properties

Compound NameCID 87072873
PubChem CID87072873
Molecular FormulaC5H6N3Se
Molecular Weight187.08 g/mol
Exact Mass187.97
IUPAC Name—
SMILESCc1cnc([Se])nc1N
InChIInChI=1S/C5H6N3Se/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H2,6,7,8)
InChIKeyARAJZYNORBPBAT-UHFFFAOYSA-N
XLogP-0.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 87072873?
The IUPAC name of CID 87072873 (CID 87072873) is not available.
What is the SMILES notation for CID 87072873?
The canonical SMILES for CID 87072873 is Cc1cnc([Se])nc1N.
What is the InChIKey of CID 87072873?
The InChIKey is ARAJZYNORBPBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N3Se/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H2,6,7,8).
What are the key properties of CID 87072873?
CID 87072873 has a molecular weight of 187.08 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87072873 is sourced from PubChem (CID 87072873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).