5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine

C8H6ClN3Se — CID 166447281

IUPAC5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine
SMILESNc1nnc(-c2ccc(Cl)cc2)[se]1
InChIInChI=1S/C8H6ClN3Se/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKeyFSJIVKLMSRRTSN-UHFFFAOYSA-N
MW258.57 g/mol
LogP1.44
Rot. Bonds1

About 5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine

5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine (PubChem CID 166447281) has the molecular formula C8H6ClN3Se and a molecular weight of 258.57 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine
PubChem CID166447281
Molecular FormulaC8H6ClN3Se
Molecular Weight258.57 g/mol
Exact Mass258.94
IUPAC Name5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine
SMILESNc1nnc(-c2ccc(Cl)cc2)[se]1
InChIInChI=1S/C8H6ClN3Se/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKeyFSJIVKLMSRRTSN-UHFFFAOYSA-N
XLogP1.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.57
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-(2-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 554211
5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 668392
5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine
CID 182638
5-(4-Chlorophenyl)-1H-tetrazole
CID 257758
5-(3-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 2772306
2-(4-Chloro-benzyl)-5-phenyl-2H-tetrazole
CID 763900
3-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]propanenitrile
CID 8107163
5-(4-Chlorophenyl)-2-(3-chloropropyl)tetrazole
CID 145950012
5-Phenyl-1,3,4-selenadiazol-2-amine
CID 568594
(2E)-5-(4-chlorophenyl)-2-hydrazinylidene-2,3-dihydro-1,3,4-thiadiazole
CID 12278172
5-(4-chloro-2-fluorophenyl)-2H-tetrazole
CID 57104702
5-(4-Chloro-2-fluorophenyl)-2-methyltetrazole
CID 141338223

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine (CID 166447281) is 5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine is Nc1nnc(-c2ccc(Cl)cc2)[se]1.
What is the InChIKey of 5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine?
The InChIKey is FSJIVKLMSRRTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3Se/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12).
What are the key properties of 5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine?
5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine has a molecular weight of 258.57 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,3,4-selenadiazol-2-amine is sourced from PubChem (CID 166447281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).