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

C4H4N6O2 — CID 541851

IUPAC3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2noc(N)n2)no1
InChIInChI=1S/C4H4N6O2/c5-3-7-1(9-11-3)2-8-4(6)12-10-2/h(H2,5,7,9)(H2,6,8,10)
InChIKeyGEAQDHCLBPVZOM-UHFFFAOYSA-N
MW168.12 g/mol
LogP-0.72
Rot. Bonds1

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

3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 541851) has the molecular formula C4H4N6O2 and a molecular weight of 168.12 g/mol. Its IUPAC name is 3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine
PubChem CID541851
Molecular FormulaC4H4N6O2
Molecular Weight168.12 g/mol
Exact Mass168.04
IUPAC Name3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2noc(N)n2)no1
InChIInChI=1S/C4H4N6O2/c5-3-7-1(9-11-3)2-8-4(6)12-10-2/h(H2,5,7,9)(H2,6,8,10)
InChIKeyGEAQDHCLBPVZOM-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 3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine (CID 541851) is 3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine is Nc1nc(-c2noc(N)n2)no1.
What is the InChIKey of 3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is GEAQDHCLBPVZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6O2/c5-3-7-1(9-11-3)2-8-4(6)12-10-2/h(H2,5,7,9)(H2,6,8,10).
What are the key properties of 3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine?
3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-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 3-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 541851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).