5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine

C4H8N4O — CID 54595504

IUPAC5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine
SMILESNCCc1nc(N)no1
InChIInChI=1S/C4H8N4O/c5-2-1-3-7-4(6)8-9-3/h1-2,5H2,(H2,6,8)
InChIKeyYNTQWGTVDFJNJO-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.85
Rot. Bonds2

About 5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine

5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 54595504) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine
PubChem CID54595504
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine
SMILESNCCc1nc(N)no1
InChIInChI=1S/C4H8N4O/c5-2-1-3-7-4(6)8-9-3/h1-2,5H2,(H2,6,8)
InChIKeyYNTQWGTVDFJNJO-UHFFFAOYSA-N
XLogP-0.85
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine (CID 54595504) is 5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine is NCCc1nc(N)no1.
What is the InChIKey of 5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is YNTQWGTVDFJNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c5-2-1-3-7-4(6)8-9-3/h1-2,5H2,(H2,6,8).
What are the key properties of 5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine?
5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 128.13 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 54595504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).