5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine

C8H12N6O2 — CID 106413157

IUPAC5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NCCc2ncno2)o1
InChIInChI=1S/C8H12N6O2/c1-5(9)7-13-14-8(15-7)10-3-2-6-11-4-12-16-6/h4-5H,2-3,9H2,1H3,(H,10,14)
InChIKeyZXAPAGTWXVKJOT-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.13
Rot. Bonds5

About 5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106413157) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106413157
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NCCc2ncno2)o1
InChIInChI=1S/C8H12N6O2/c1-5(9)7-13-14-8(15-7)10-3-2-6-11-4-12-16-6/h4-5H,2-3,9H2,1H3,(H,10,14)
InChIKeyZXAPAGTWXVKJOT-UHFFFAOYSA-N
XLogP0.13
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106413157) is 5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine is CC(N)c1nnc(NCCc2ncno2)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZXAPAGTWXVKJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2/c1-5(9)7-13-14-8(15-7)10-3-2-6-11-4-12-16-6/h4-5H,2-3,9H2,1H3,(H,10,14).
What are the key properties of 5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 224.22 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106413157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).