3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride

C5H10ClN3O2 — CID 155977993

IUPAC3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride
SMILESCl.Cn1c(CCN)noc1=O
InChIInChI=1S/C5H9N3O2.ClH/c1-8-4(2-3-6)7-10-5(8)9;/h2-3,6H2,1H3;1H
InChIKeyIXTLGNFSRITPFF-UHFFFAOYSA-N
MW179.61 g/mol
LogP-0.70
Rot. Bonds2

About 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride

3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride (PubChem CID 155977993) has the molecular formula C5H10ClN3O2 and a molecular weight of 179.61 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride
PubChem CID155977993
Molecular FormulaC5H10ClN3O2
Molecular Weight179.61 g/mol
Exact Mass179.05
IUPAC Name3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride
SMILESCl.Cn1c(CCN)noc1=O
InChIInChI=1S/C5H9N3O2.ClH/c1-8-4(2-3-6)7-10-5(8)9;/h2-3,6H2,1H3;1H
InChIKeyIXTLGNFSRITPFF-UHFFFAOYSA-N
XLogP-0.70
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride (CID 155977993) is 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride is Cl.Cn1c(CCN)noc1=O.
What is the InChIKey of 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride?
The InChIKey is IXTLGNFSRITPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2.ClH/c1-8-4(2-3-6)7-10-5(8)9;/h2-3,6H2,1H3;1H.
What are the key properties of 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride?
3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride has a molecular weight of 179.61 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-methyl-1,2,4-oxadiazol-5-one;hydrochloride is sourced from PubChem (CID 155977993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).