[amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide

C2H8N8O4 — CID 86583299

IUPAC[amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide
SMILESNC(=[NH2+])N=C(N)N.O=[N+]([O-])[N-][N+](=O)[O-]
InChIInChI=1S/C2H7N5.N3O4/c3-1(4)7-2(5)6;4-2(5)1-3(6)7/h(H7,3,4,5,6,7);/q;-1/p+1
InChIKeyLZXBUCAIMJSOQQ-UHFFFAOYSA-O
MW208.14 g/mol
LogP-3.92
Rot. Bonds2

About [amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide

[amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide (PubChem CID 86583299) has the molecular formula C2H8N8O4 and a molecular weight of 208.14 g/mol. Its IUPAC name is [amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide.

Molecular Properties

Compound Name[amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide
PubChem CID86583299
Molecular FormulaC2H8N8O4
Molecular Weight208.14 g/mol
Exact Mass208.07
IUPAC Name[amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide
SMILESNC(=[NH2+])N=C(N)N.O=[N+]([O-])[N-][N+](=O)[O-]
InChIInChI=1S/C2H7N5.N3O4/c3-1(4)7-2(5)6;4-2(5)1-3(6)7/h(H7,3,4,5,6,7);/q;-1/p+1
InChIKeyLZXBUCAIMJSOQQ-UHFFFAOYSA-O
XLogP-3.92
TPSA216.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 5-3.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 [amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide?
The IUPAC name of [amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide (CID 86583299) is [amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide.
What is the SMILES notation for [amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide?
The canonical SMILES for [amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide is NC(=[NH2+])N=C(N)N.O=[N+]([O-])[N-][N+](=O)[O-].
What is the InChIKey of [amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide?
The InChIKey is LZXBUCAIMJSOQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7N5.N3O4/c3-1(4)7-2(5)6;4-2(5)1-3(6)7/h(H7,3,4,5,6,7);/q;-1/p+1.
What are the key properties of [amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide?
[amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide has a molecular weight of 208.14 g/mol, XLogP of -3.92, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(diaminomethylideneamino)methylidene]azanium;dinitroazanide is sourced from PubChem (CID 86583299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).