copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate

C2H14CuN16O5 — CID 139170472

IUPACcopper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate
SMILESN.N.N.N.O.O=[N+]([O-])[N-]n1nnnc1-c1nnnn1[N-][N+](=O)[O-].[Cu+2]
InChIInChI=1S/C2N12O4.Cu.4H3N.H2O/c15-13(16)9-11-1(3-5-7-11)2-4-6-8-12(2)10-14(17)18;;;;;;/h;;4*1H3;1H2/q-2;+2;;;;;
InChIKeyZFBQRBLRTOIWQF-UHFFFAOYSA-N
MW405.79 g/mol
LogP-2.20
Rot. Bonds5

About copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate

copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate (PubChem CID 139170472) has the molecular formula C2H14CuN16O5 and a molecular weight of 405.79 g/mol. Its IUPAC name is copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate.

Molecular Properties

Compound Namecopper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate
PubChem CID139170472
Molecular FormulaC2H14CuN16O5
Molecular Weight405.79 g/mol
Exact Mass405.06
IUPAC Namecopper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate
SMILESN.N.N.N.O.O=[N+]([O-])[N-]n1nnnc1-c1nnnn1[N-][N+](=O)[O-].[Cu+2]
InChIInChI=1S/C2N12O4.Cu.4H3N.H2O/c15-13(16)9-11-1(3-5-7-11)2-4-6-8-12(2)10-14(17)18;;;;;;/h;;4*1H3;1H2/q-2;+2;;;;;
InChIKeyZFBQRBLRTOIWQF-UHFFFAOYSA-N
XLogP-2.20
TPSA373.18 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.79
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

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5-(2-bromo-5-nitrophenyl)-1-methyltetrazole
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azane;nickel;nitrate
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nitric acid;tetrazole-1,5-diamine
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CID 70017504
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-nitrophenyl)ethanone
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CID 19935790

Frequently Asked Questions

What is the IUPAC name of copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate?
The IUPAC name of copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate (CID 139170472) is copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate.
What is the SMILES notation for copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate?
The canonical SMILES for copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate is N.N.N.N.O.O=[N+]([O-])[N-]n1nnnc1-c1nnnn1[N-][N+](=O)[O-].[Cu+2].
What is the InChIKey of copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate?
The InChIKey is ZFBQRBLRTOIWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N12O4.Cu.4H3N.H2O/c15-13(16)9-11-1(3-5-7-11)2-4-6-8-12(2)10-14(17)18;;;;;;/h;;4*1H3;1H2/q-2;+2;;;;;.
What are the key properties of copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate?
copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate has a molecular weight of 405.79 g/mol, XLogP of -2.20, 5 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate is sourced from PubChem (CID 139170472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).