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

C6H12ClN3O — CID 90402302

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride
SMILESCc1noc(C(C)(C)N)n1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-4-8-5(10-9-4)6(2,3)7;/h7H2,1-3H3;1H
InChIKeyYTWYDKZWZAUDLO-UHFFFAOYSA-N
MW177.64 g/mol
LogP0.99
Rot. Bonds1

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

2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride (PubChem CID 90402302) has the molecular formula C6H12ClN3O and a molecular weight of 177.64 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride
PubChem CID90402302
Molecular FormulaC6H12ClN3O
Molecular Weight177.64 g/mol
Exact Mass177.07
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride
SMILESCc1noc(C(C)(C)N)n1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-4-8-5(10-9-4)6(2,3)7;/h7H2,1-3H3;1H
InChIKeyYTWYDKZWZAUDLO-UHFFFAOYSA-N
XLogP0.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.64
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride (CID 90402302) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride is Cc1noc(C(C)(C)N)n1.Cl.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride?
The InChIKey is YTWYDKZWZAUDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c1-4-8-5(10-9-4)6(2,3)7;/h7H2,1-3H3;1H.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride?
2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine;hydrochloride has a molecular weight of 177.64 g/mol, XLogP of 0.99, 1 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)propan-2-amine;hydrochloride is sourced from PubChem (CID 90402302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).