(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride

C7H14ClN3O — CID 46736960

IUPAC(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCC(C)(C)c1noc(CN)n1.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-7(2,3)6-9-5(4-8)11-10-6;/h4,8H2,1-3H3;1H
InChIKeySVGZQFPLGHIYPR-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.25
Rot. Bonds1

About (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride

(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (PubChem CID 46736960) has the molecular formula C7H14ClN3O and a molecular weight of 191.66 g/mol. Its IUPAC name is (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
PubChem CID46736960
Molecular FormulaC7H14ClN3O
Molecular Weight191.66 g/mol
Exact Mass191.08
IUPAC Name(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCC(C)(C)c1noc(CN)n1.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-7(2,3)6-9-5(4-8)11-10-6;/h4,8H2,1-3H3;1H
InChIKeySVGZQFPLGHIYPR-UHFFFAOYSA-N
XLogP1.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (CID 46736960) is (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is CC(C)(C)c1noc(CN)n1.Cl.
What is the InChIKey of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The InChIKey is SVGZQFPLGHIYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.ClH/c1-7(2,3)6-9-5(4-8)11-10-6;/h4,8H2,1-3H3;1H.
What are the key properties of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 46736960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).