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

C6H4N8O3 — CID 616774

IUPAC4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1noc(-c2nonc2N)n1
InChIInChI=1S/C6H4N8O3/c7-3-1(10-16-12-3)5-9-6(15-14-5)2-4(8)13-17-11-2/h(H2,7,12)(H2,8,13)
InChIKeyULGWBVOZTCQZBW-UHFFFAOYSA-N
MW236.15 g/mol
LogP-0.67
Rot. Bonds2

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

4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 616774) has the molecular formula C6H4N8O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
PubChem CID616774
Molecular FormulaC6H4N8O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1noc(-c2nonc2N)n1
InChIInChI=1S/C6H4N8O3/c7-3-1(10-16-12-3)5-9-6(15-14-5)2-4(8)13-17-11-2/h(H2,7,12)(H2,8,13)
InChIKeyULGWBVOZTCQZBW-UHFFFAOYSA-N
XLogP-0.67
TPSA168.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.15
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (CID 616774) is 4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1noc(-c2nonc2N)n1.
What is the InChIKey of 4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is ULGWBVOZTCQZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N8O3/c7-3-1(10-16-12-3)5-9-6(15-14-5)2-4(8)13-17-11-2/h(H2,7,12)(H2,8,13).
What are the key properties of 4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 236.15 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 616774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).