CID 88660142

C11H13N4Se — CID 88660142

IUPAC—
SMILESC=CC/N=C(\[Se])NN=C(C)c1ccccn1
InChIInChI=1S/C11H13N4Se/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h3-6,8H,1,7H2,2H3,(H,13,15)
InChIKeyZQYKFHQLQUVIBF-UHFFFAOYSA-N
MW280.21 g/mol
LogP1.11
Rot. Bonds4

About CID 88660142

CID 88660142 (PubChem CID 88660142) has the molecular formula C11H13N4Se and a molecular weight of 280.21 g/mol.

Molecular Properties

Compound NameCID 88660142
PubChem CID88660142
Molecular FormulaC11H13N4Se
Molecular Weight280.21 g/mol
Exact Mass281.03
IUPAC Name—
SMILESC=CC/N=C(\[Se])NN=C(C)c1ccccn1
InChIInChI=1S/C11H13N4Se/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h3-6,8H,1,7H2,2H3,(H,13,15)
InChIKeyZQYKFHQLQUVIBF-UHFFFAOYSA-N
XLogP1.11
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88660142?
The IUPAC name of CID 88660142 (CID 88660142) is not available.
What is the SMILES notation for CID 88660142?
The canonical SMILES for CID 88660142 is C=CC/N=C(\[Se])NN=C(C)c1ccccn1.
What is the InChIKey of CID 88660142?
The InChIKey is ZQYKFHQLQUVIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N4Se/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h3-6,8H,1,7H2,2H3,(H,13,15).
What are the key properties of CID 88660142?
CID 88660142 has a molecular weight of 280.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88660142 is sourced from PubChem (CID 88660142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).