(NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide

C2H2N14O4 — CID 177447225

IUPAC(NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide
SMILESO=[N+]([O-])/N=c1\nn[nH]n1/N=N/n1[nH]nn/c1=N\[N+](=O)[O-]
InChIInChI=1S/C2H2N14O4/c17-15(18)5-1-3-7-9-13(1)11-12-14-2(4-8-10-14)6-16(19)20/h(H,3,5,9)(H,4,6,10)/b12-11+
InChIKeyZUTGQVPIGWKMMX-VAWYXSNFSA-N
MW286.13 g/mol
LogP-3.61
Rot. Bonds4

About (NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide

(NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide (PubChem CID 177447225) has the molecular formula C2H2N14O4 and a molecular weight of 286.13 g/mol. Its IUPAC name is (NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide.

Molecular Properties

Compound Name(NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide
PubChem CID177447225
Molecular FormulaC2H2N14O4
Molecular Weight286.13 g/mol
Exact Mass286.04
IUPAC Name(NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide
SMILESO=[N+]([O-])/N=c1\nn[nH]n1/N=N/n1[nH]nn/c1=N\[N+](=O)[O-]
InChIInChI=1S/C2H2N14O4/c17-15(18)5-1-3-7-9-13(1)11-12-14-2(4-8-10-14)6-16(19)20/h(H,3,5,9)(H,4,6,10)/b12-11+
InChIKeyZUTGQVPIGWKMMX-VAWYXSNFSA-N
XLogP-3.61
TPSA228.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.13
LogP ≤ 5-3.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 (NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide?
The IUPAC name of (NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide (CID 177447225) is (NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide.
What is the SMILES notation for (NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide?
The canonical SMILES for (NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide is O=[N+]([O-])/N=c1\nn[nH]n1/N=N/n1[nH]nn/c1=N\[N+](=O)[O-].
What is the InChIKey of (NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide?
The InChIKey is ZUTGQVPIGWKMMX-VAWYXSNFSA-N. The full InChI is InChI=1S/C2H2N14O4/c17-15(18)5-1-3-7-9-13(1)11-12-14-2(4-8-10-14)6-16(19)20/h(H,3,5,9)(H,4,6,10)/b12-11+.
What are the key properties of (NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide?
(NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide has a molecular weight of 286.13 g/mol, XLogP of -3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide is sourced from PubChem (CID 177447225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).