3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine

C4H5N9O2 — CID 2829094

IUPAC3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine
SMILESNc1nonc1/N=N/Nc1nonc1N
InChIInChI=1S/C4H5N9O2/c5-1-3(11-14-9-1)7-13-8-4-2(6)10-15-12-4/h(H2,5,9)(H2,6,10)(H,7,8,11,12)
InChIKeyLDIGKVBUQYDOJJ-UHFFFAOYSA-N
MW211.15 g/mol
LogP-0.27
Rot. Bonds3

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

3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine (PubChem CID 2829094) has the molecular formula C4H5N9O2 and a molecular weight of 211.15 g/mol. Its IUPAC name is 3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine.

Molecular Properties

Compound Name3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine
PubChem CID2829094
Molecular FormulaC4H5N9O2
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine
SMILESNc1nonc1/N=N/Nc1nonc1N
InChIInChI=1S/C4H5N9O2/c5-1-3(11-14-9-1)7-13-8-4-2(6)10-15-12-4/h(H2,5,9)(H2,6,10)(H,7,8,11,12)
InChIKeyLDIGKVBUQYDOJJ-UHFFFAOYSA-N
XLogP-0.27
TPSA166.63 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine?
The IUPAC name of 3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine (CID 2829094) is 3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine.
What is the SMILES notation for 3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine?
The canonical SMILES for 3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine is Nc1nonc1/N=N/Nc1nonc1N.
What is the InChIKey of 3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine?
The InChIKey is LDIGKVBUQYDOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N9O2/c5-1-3(11-14-9-1)7-13-8-4-2(6)10-15-12-4/h(H2,5,9)(H2,6,10)(H,7,8,11,12).
What are the key properties of 3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine?
3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine has a molecular weight of 211.15 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine is sourced from PubChem (CID 2829094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).