N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine

C10H13N3Se — CID 175028387

IUPACN-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine
SMILESCCNC1[Se]C=NN1c1ccccc1
InChIInChI=1S/C10H13N3Se/c1-2-11-10-13(12-8-14-10)9-6-4-3-5-7-9/h3-8,10-11H,2H2,1H3
InChIKeyPBMFGXDWJGFTSK-UHFFFAOYSA-N
MW254.20 g/mol
LogP1.05
Rot. Bonds3

About N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine

N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine (PubChem CID 175028387) has the molecular formula C10H13N3Se and a molecular weight of 254.20 g/mol. Its IUPAC name is N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine
PubChem CID175028387
Molecular FormulaC10H13N3Se
Molecular Weight254.20 g/mol
Exact Mass255.03
IUPAC NameN-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine
SMILESCCNC1[Se]C=NN1c1ccccc1
InChIInChI=1S/C10H13N3Se/c1-2-11-10-13(12-8-14-10)9-6-4-3-5-7-9/h3-8,10-11H,2H2,1H3
InChIKeyPBMFGXDWJGFTSK-UHFFFAOYSA-N
XLogP1.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.05
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 N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine?
The IUPAC name of N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine (CID 175028387) is N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine.
What is the SMILES notation for N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine?
The canonical SMILES for N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine is CCNC1[Se]C=NN1c1ccccc1.
What is the InChIKey of N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine?
The InChIKey is PBMFGXDWJGFTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3Se/c1-2-11-10-13(12-8-14-10)9-6-4-3-5-7-9/h3-8,10-11H,2H2,1H3.
What are the key properties of N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine?
N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine has a molecular weight of 254.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine is sourced from PubChem (CID 175028387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).