[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C9H8Cl3N3O — CID 71829645

IUPAC[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C9H7Cl2N3O.ClH/c10-5-1-2-7(11)6(3-5)9-13-8(4-12)15-14-9;/h1-3H,4,12H2;1H
InChIKeyZZZRHQFUSKTHNG-UHFFFAOYSA-N
MW280.54 g/mol
LogP2.92
Rot. Bonds2

About [3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 71829645) has the molecular formula C9H8Cl3N3O and a molecular weight of 280.54 g/mol. Its IUPAC name is [3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID71829645
Molecular FormulaC9H8Cl3N3O
Molecular Weight280.54 g/mol
Exact Mass278.97
IUPAC Name[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C9H7Cl2N3O.ClH/c10-5-1-2-7(11)6(3-5)9-13-8(4-12)15-14-9;/h1-3H,4,12H2;1H
InChIKeyZZZRHQFUSKTHNG-UHFFFAOYSA-N
XLogP2.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 71829645) is [3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is Cl.NCc1nc(-c2cc(Cl)ccc2Cl)no1.
What is the InChIKey of [3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is ZZZRHQFUSKTHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O.ClH/c10-5-1-2-7(11)6(3-5)9-13-8(4-12)15-14-9;/h1-3H,4,12H2;1H.
What are the key properties of [3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 280.54 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 71829645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).