nitramide;1,2,5-oxadiazole;2H-tetrazole

C3H6N8O3 — CID 174907655

IUPACnitramide;1,2,5-oxadiazole;2H-tetrazole
SMILESN[N+](=O)[O-].c1cnon1.c1nn[nH]n1
InChIInChI=1S/C2H2N2O.CH2N4.H2N2O2/c2*1-2-4-5-3-1;1-2(3)4/h1-2H;1H,(H,2,3,4,5);1H2
InChIKeyIWHJMFPGXNRXAE-UHFFFAOYSA-N
MW202.13 g/mol
LogP-1.59
Rot. Bonds

About nitramide;1,2,5-oxadiazole;2H-tetrazole

nitramide;1,2,5-oxadiazole;2H-tetrazole (PubChem CID 174907655) has the molecular formula C3H6N8O3 and a molecular weight of 202.13 g/mol. Its IUPAC name is nitramide;1,2,5-oxadiazole;2H-tetrazole.

Molecular Properties

Compound Namenitramide;1,2,5-oxadiazole;2H-tetrazole
PubChem CID174907655
Molecular FormulaC3H6N8O3
Molecular Weight202.13 g/mol
Exact Mass202.06
IUPAC Namenitramide;1,2,5-oxadiazole;2H-tetrazole
SMILESN[N+](=O)[O-].c1cnon1.c1nn[nH]n1
InChIInChI=1S/C2H2N2O.CH2N4.H2N2O2/c2*1-2-4-5-3-1;1-2(3)4/h1-2H;1H,(H,2,3,4,5);1H2
InChIKeyIWHJMFPGXNRXAE-UHFFFAOYSA-N
XLogP-1.59
TPSA162.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 nitramide;1,2,5-oxadiazole;2H-tetrazole?
The IUPAC name of nitramide;1,2,5-oxadiazole;2H-tetrazole (CID 174907655) is nitramide;1,2,5-oxadiazole;2H-tetrazole.
What is the SMILES notation for nitramide;1,2,5-oxadiazole;2H-tetrazole?
The canonical SMILES for nitramide;1,2,5-oxadiazole;2H-tetrazole is N[N+](=O)[O-].c1cnon1.c1nn[nH]n1.
What is the InChIKey of nitramide;1,2,5-oxadiazole;2H-tetrazole?
The InChIKey is IWHJMFPGXNRXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O.CH2N4.H2N2O2/c2*1-2-4-5-3-1;1-2(3)4/h1-2H;1H,(H,2,3,4,5);1H2.
What are the key properties of nitramide;1,2,5-oxadiazole;2H-tetrazole?
nitramide;1,2,5-oxadiazole;2H-tetrazole has a molecular weight of 202.13 g/mol, XLogP of -1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for nitramide;1,2,5-oxadiazole;2H-tetrazole is sourced from PubChem (CID 174907655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).