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

C4H5ClF3N3O — CID 66687518

IUPAC[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(C(F)(F)F)no1
InChIInChI=1S/C4H4F3N3O.ClH/c5-4(6,7)3-9-2(1-8)11-10-3;/h1,8H2;1H
InChIKeyCOARXWWWMGBQEU-UHFFFAOYSA-N
MW203.55 g/mol
LogP0.97
Rot. Bonds1

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

[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 66687518) has the molecular formula C4H5ClF3N3O and a molecular weight of 203.55 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID66687518
Molecular FormulaC4H5ClF3N3O
Molecular Weight203.55 g/mol
Exact Mass203.01
IUPAC Name[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(C(F)(F)F)no1
InChIInChI=1S/C4H4F3N3O.ClH/c5-4(6,7)3-9-2(1-8)11-10-3;/h1,8H2;1H
InChIKeyCOARXWWWMGBQEU-UHFFFAOYSA-N
XLogP0.97
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.55
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 66687518) is [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is Cl.NCc1nc(C(F)(F)F)no1.
What is the InChIKey of [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is COARXWWWMGBQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O.ClH/c5-4(6,7)3-9-2(1-8)11-10-3;/h1,8H2;1H.
What are the key properties of [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 203.55 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 66687518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).