3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole

C6H4N6O7 — CID 175230225

IUPAC3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole
SMILESO=[N+]([O-])c1nonc1COCc1nonc1[N+](=O)[O-]
InChIInChI=1S/C6H4N6O7/c13-11(14)5-3(7-18-9-5)1-17-2-4-6(12(15)16)10-19-8-4/h1-2H2
InChIKeyDURFRLDEWQOQIA-UHFFFAOYSA-N
MW272.13 g/mol
LogP-0.01
Rot. Bonds6

About 3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole

3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole (PubChem CID 175230225) has the molecular formula C6H4N6O7 and a molecular weight of 272.13 g/mol. Its IUPAC name is 3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole
PubChem CID175230225
Molecular FormulaC6H4N6O7
Molecular Weight272.13 g/mol
Exact Mass272.01
IUPAC Name3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole
SMILESO=[N+]([O-])c1nonc1COCc1nonc1[N+](=O)[O-]
InChIInChI=1S/C6H4N6O7/c13-11(14)5-3(7-18-9-5)1-17-2-4-6(12(15)16)10-19-8-4/h1-2H2
InChIKeyDURFRLDEWQOQIA-UHFFFAOYSA-N
XLogP-0.01
TPSA173.35 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxy]-1,2,5-oxadiazole
CID 542701
4-{[(4-Amino-1,2,5-oxadiazol-3-yl)methoxy]methyl}-1,2,5-oxadiazol-3-amine
CID 4259635

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole?
The IUPAC name of 3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole (CID 175230225) is 3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole is O=[N+]([O-])c1nonc1COCc1nonc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole?
The InChIKey is DURFRLDEWQOQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O7/c13-11(14)5-3(7-18-9-5)1-17-2-4-6(12(15)16)10-19-8-4/h1-2H2.
What are the key properties of 3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole?
3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole has a molecular weight of 272.13 g/mol, XLogP of -0.01, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-[(4-nitro-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazole is sourced from PubChem (CID 175230225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).