2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid)

C4H14N14O6 — CID 175891194

IUPAC2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid)
SMILESNC(N)=NC(N)=NN=NN=C(N)N=C(N)N.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C4H12N12.2HNO3/c5-1(6)11-3(9)13-15-16-14-4(10)12-2(7)8;2*2-1(3)4/h(H6,5,6,9,11,13,16)(H6,7,8,10,12,14,15);2*(H,2,3,4)
InChIKeyRWDRJIDROOVCDS-UHFFFAOYSA-N
MW354.25 g/mol
LogP-4.25
Rot. Bonds2

About 2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid)

2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid) (PubChem CID 175891194) has the molecular formula C4H14N14O6 and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid).

Molecular Properties

Compound Name2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid)
PubChem CID175891194
Molecular FormulaC4H14N14O6
Molecular Weight354.25 g/mol
Exact Mass354.12
IUPAC Name2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid)
SMILESNC(N)=NC(N)=NN=NN=C(N)N=C(N)N.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C4H12N12.2HNO3/c5-1(6)11-3(9)13-15-16-14-4(10)12-2(7)8;2*2-1(3)4/h(H6,5,6,9,11,13,16)(H6,7,8,10,12,14,15);2*(H,2,3,4)
InChIKeyRWDRJIDROOVCDS-UHFFFAOYSA-N
XLogP-4.25
TPSA357.02 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 5-4.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

Biguanidinium mono-dinitramide
CID 86583299
2-(5-Aminotetrazol-5-yl)guanidine;nitric acid
CID 174383340

Frequently Asked Questions

What is the IUPAC name of 2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid)?
The IUPAC name of 2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid) (CID 175891194) is 2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid).
What is the SMILES notation for 2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid)?
The canonical SMILES for 2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid) is NC(N)=NC(N)=NN=NN=C(N)N=C(N)N.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of 2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid)?
The InChIKey is RWDRJIDROOVCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N12.2HNO3/c5-1(6)11-3(9)13-15-16-14-4(10)12-2(7)8;2*2-1(3)4/h(H6,5,6,9,11,13,16)(H6,7,8,10,12,14,15);2*(H,2,3,4).
What are the key properties of 2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid)?
2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid) has a molecular weight of 354.25 g/mol, XLogP of -4.25, 2 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid) is sourced from PubChem (CID 175891194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).