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

C6H12ClN3O — CID 50988191

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride
SMILESCc1noc(CCCN)n1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-5-8-6(10-9-5)3-2-4-7;/h2-4,7H2,1H3;1H
InChIKeyUICCPWNLOYUBBE-UHFFFAOYSA-N
MW177.64 g/mol
LogP0.69
Rot. Bonds3

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

3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride (PubChem CID 50988191) has the molecular formula C6H12ClN3O and a molecular weight of 177.64 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride
PubChem CID50988191
Molecular FormulaC6H12ClN3O
Molecular Weight177.64 g/mol
Exact Mass177.07
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride
SMILESCc1noc(CCCN)n1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-5-8-6(10-9-5)3-2-4-7;/h2-4,7H2,1H3;1H
InChIKeyUICCPWNLOYUBBE-UHFFFAOYSA-N
XLogP0.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.64
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride (CID 50988191) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride is Cc1noc(CCCN)n1.Cl.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride?
The InChIKey is UICCPWNLOYUBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c1-5-8-6(10-9-5)3-2-4-7;/h2-4,7H2,1H3;1H.
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride?
3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride has a molecular weight of 177.64 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 50988191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).