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

C6H12ClN3O2 — CID 117071701

IUPAC1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride
SMILESCc1nonc1OCC(C)N.Cl
InChIInChI=1S/C6H11N3O2.ClH/c1-4(7)3-10-6-5(2)8-11-9-6;/h4H,3,7H2,1-2H3;1H
InChIKeyOJNFHNKYHGCEPX-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.53
Rot. Bonds3

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

1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride (PubChem CID 117071701) has the molecular formula C6H12ClN3O2 and a molecular weight of 193.63 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride
PubChem CID117071701
Molecular FormulaC6H12ClN3O2
Molecular Weight193.63 g/mol
Exact Mass193.06
IUPAC Name1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride
SMILESCc1nonc1OCC(C)N.Cl
InChIInChI=1S/C6H11N3O2.ClH/c1-4(7)3-10-6-5(2)8-11-9-6;/h4H,3,7H2,1-2H3;1H
InChIKeyOJNFHNKYHGCEPX-UHFFFAOYSA-N
XLogP0.53
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride?
The IUPAC name of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride (CID 117071701) is 1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride is Cc1nonc1OCC(C)N.Cl.
What is the InChIKey of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride?
The InChIKey is OJNFHNKYHGCEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2.ClH/c1-4(7)3-10-6-5(2)8-11-9-6;/h4H,3,7H2,1-2H3;1H.
What are the key properties of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride?
1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride is sourced from PubChem (CID 117071701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).