5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine

C4H4N6O2 — CID 4036354

IUPAC5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2nnc(N)o2)o1
InChIInChI=1S/C4H4N6O2/c5-3-9-7-1(11-3)2-8-10-4(6)12-2/h(H2,5,9)(H2,6,10)
InChIKeyQVLRRNHTAWIMQI-UHFFFAOYSA-N
MW168.12 g/mol
LogP-0.72
Rot. Bonds1

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

5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 4036354) has the molecular formula C4H4N6O2 and a molecular weight of 168.12 g/mol. Its IUPAC name is 5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID4036354
Molecular FormulaC4H4N6O2
Molecular Weight168.12 g/mol
Exact Mass168.04
IUPAC Name5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2nnc(N)o2)o1
InChIInChI=1S/C4H4N6O2/c5-3-9-7-1(11-3)2-8-10-4(6)12-2/h(H2,5,9)(H2,6,10)
InChIKeyQVLRRNHTAWIMQI-UHFFFAOYSA-N
XLogP-0.72
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine (CID 4036354) is 5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2nnc(N)o2)o1.
What is the InChIKey of 5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is QVLRRNHTAWIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6O2/c5-3-9-7-1(11-3)2-8-10-4(6)12-2/h(H2,5,9)(H2,6,10).
What are the key properties of 5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine?
5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 168.12 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 4036354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).