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

C8H4N12O4 — CID 4280859

IUPAC3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2nonc2/N=N/c2nonc2-c2noc(N)n2)no1
InChIInChI=1S/C8H4N12O4/c9-7-11-3(17-21-7)1-5(19-23-15-1)13-14-6-2(16-24-20-6)4-12-8(10)22-18-4/h(H2,9,11,17)(H2,10,12,18)/b14-13+
InChIKeyKANZHFQIHOOHOW-BUHFOSPRSA-N
MW332.20 g/mol
LogP0.13
Rot. Bonds4

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

3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine (PubChem CID 4280859) has the molecular formula C8H4N12O4 and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine
PubChem CID4280859
Molecular FormulaC8H4N12O4
Molecular Weight332.20 g/mol
Exact Mass332.05
IUPAC Name3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2nonc2/N=N/c2nonc2-c2noc(N)n2)no1
InChIInChI=1S/C8H4N12O4/c9-7-11-3(17-21-7)1-5(19-23-15-1)13-14-6-2(16-24-20-6)4-12-8(10)22-18-4/h(H2,9,11,17)(H2,10,12,18)/b14-13+
InChIKeyKANZHFQIHOOHOW-BUHFOSPRSA-N
XLogP0.13
TPSA232.44 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.20
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine (CID 4280859) is 3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine is Nc1nc(-c2nonc2/N=N/c2nonc2-c2noc(N)n2)no1.
What is the InChIKey of 3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine?
The InChIKey is KANZHFQIHOOHOW-BUHFOSPRSA-N. The full InChI is InChI=1S/C8H4N12O4/c9-7-11-3(17-21-7)1-5(19-23-15-1)13-14-6-2(16-24-20-6)4-12-8(10)22-18-4/h(H2,9,11,17)(H2,10,12,18)/b14-13+.
What are the key properties of 3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine?
3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine has a molecular weight of 332.20 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]diazenyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 4280859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).