N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

C5H9N3O — CID 59154993

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCCNCc1ncon1
InChIInChI=1S/C5H9N3O/c1-2-6-3-5-7-4-9-8-5/h4,6H,2-3H2,1H3
InChIKeyIVJYRKWZUZLXEE-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.18
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (PubChem CID 59154993) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
PubChem CID59154993
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCCNCc1ncon1
InChIInChI=1S/C5H9N3O/c1-2-6-3-5-7-4-9-8-5/h4,6H,2-3H2,1H3
InChIKeyIVJYRKWZUZLXEE-UHFFFAOYSA-N
XLogP0.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (CID 59154993) is N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is CCNCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The InChIKey is IVJYRKWZUZLXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-6-3-5-7-4-9-8-5/h4,6H,2-3H2,1H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine has a molecular weight of 127.15 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 59154993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).