2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride

C7H14ClN3O — CID 154832827

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
SMILESCCC(C)(N)c1nc(C)no1.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-4-7(3,8)6-9-5(2)10-11-6;/h4,8H2,1-3H3;1H
InChIKeyKEIHZLTZRHBIMK-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.38
Rot. Bonds2

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride

2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride (PubChem CID 154832827) has the molecular formula C7H14ClN3O and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
PubChem CID154832827
Molecular FormulaC7H14ClN3O
Molecular Weight191.66 g/mol
Exact Mass191.08
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
SMILESCCC(C)(N)c1nc(C)no1.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-4-7(3,8)6-9-5(2)10-11-6;/h4,8H2,1-3H3;1H
InChIKeyKEIHZLTZRHBIMK-UHFFFAOYSA-N
XLogP1.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride (CID 154832827) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride is CCC(C)(N)c1nc(C)no1.Cl.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride?
The InChIKey is KEIHZLTZRHBIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.ClH/c1-4-7(3,8)6-9-5(2)10-11-6;/h4,8H2,1-3H3;1H.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride?
2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride is sourced from PubChem (CID 154832827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).