1,2,5-oxadiazol-3-yldiazene

C2H2N4O — CID 70165896

IUPAC1,2,5-oxadiazol-3-yldiazene
SMILES[H]/N=N/c1cnon1
InChIInChI=1S/C2H2N4O/c3-5-2-1-4-7-6-2/h1,3H/b5-3+
InChIKeyFOMQZDQAGVSMQZ-HWKANZROSA-N
MW98.06 g/mol
LogP0.73
Rot. Bonds1

About 1,2,5-oxadiazol-3-yldiazene

1,2,5-oxadiazol-3-yldiazene (PubChem CID 70165896) has the molecular formula C2H2N4O and a molecular weight of 98.06 g/mol. Its IUPAC name is 1,2,5-oxadiazol-3-yldiazene.

Molecular Properties

Compound Name1,2,5-oxadiazol-3-yldiazene
PubChem CID70165896
Molecular FormulaC2H2N4O
Molecular Weight98.06 g/mol
Exact Mass98.02
IUPAC Name1,2,5-oxadiazol-3-yldiazene
SMILES[H]/N=N/c1cnon1
InChIInChI=1S/C2H2N4O/c3-5-2-1-4-7-6-2/h1,3H/b5-3+
InChIKeyFOMQZDQAGVSMQZ-HWKANZROSA-N
XLogP0.73
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.06
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-2H-1,2,3-triazole
CID 278150
Difluoroaminofurazan
CID 129812374
Mono-fluoroaminofurazan
CID 129812407
4-Nitrotriazol-1-amine
CID 14952780
4-Nitrotriazol-2-amine
CID 14952781
3-Nitro-1,2,5-oxadiazole
CID 15211200
1,2,5-Oxadiazol-3-amine
CID 21988305
Azidofurazan
CID 22447438
Nitrosotriazole
CID 54480142
Azofurazan
CID 70165895
Azoxyfurazan
CID 129763487
Nitrosofurazan
CID 129773885

Frequently Asked Questions

What is the IUPAC name of 1,2,5-oxadiazol-3-yldiazene?
The IUPAC name of 1,2,5-oxadiazol-3-yldiazene (CID 70165896) is 1,2,5-oxadiazol-3-yldiazene.
What is the SMILES notation for 1,2,5-oxadiazol-3-yldiazene?
The canonical SMILES for 1,2,5-oxadiazol-3-yldiazene is [H]/N=N/c1cnon1.
What is the InChIKey of 1,2,5-oxadiazol-3-yldiazene?
The InChIKey is FOMQZDQAGVSMQZ-HWKANZROSA-N. The full InChI is InChI=1S/C2H2N4O/c3-5-2-1-4-7-6-2/h1,3H/b5-3+.
What are the key properties of 1,2,5-oxadiazol-3-yldiazene?
1,2,5-oxadiazol-3-yldiazene has a molecular weight of 98.06 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-oxadiazol-3-yldiazene is sourced from PubChem (CID 70165896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).