(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride

C9H9Cl2N3O — CID 71757534

IUPAC(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCl.NC(c1ccc(Cl)cc1)c1ncon1
InChIInChI=1S/C9H8ClN3O.ClH/c10-7-3-1-6(2-4-7)8(11)9-12-5-14-13-9;/h1-5,8H,11H2;1H
InChIKeyHVXOTUBSQDSTAA-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.19
Rot. Bonds2

About (4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride

(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 71757534) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is (4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID71757534
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCl.NC(c1ccc(Cl)cc1)c1ncon1
InChIInChI=1S/C9H8ClN3O.ClH/c10-7-3-1-6(2-4-7)8(11)9-12-5-14-13-9;/h1-5,8H,11H2;1H
InChIKeyHVXOTUBSQDSTAA-UHFFFAOYSA-N
XLogP2.19
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (CID 71757534) is (4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is Cl.NC(c1ccc(Cl)cc1)c1ncon1.
What is the InChIKey of (4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is HVXOTUBSQDSTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O.ClH/c10-7-3-1-6(2-4-7)8(11)9-12-5-14-13-9;/h1-5,8H,11H2;1H.
What are the key properties of (4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride has a molecular weight of 246.10 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 71757534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).