azane;guanidine;bis(nitric acid)

CH10N6O6 — CID 174540476

IUPACazane;guanidine;bis(nitric acid)
SMILESN.O=[N+]([O-])O.O=[N+]([O-])O.[H]N=C(N)N
InChIInChI=1S/CH5N3.2HNO3.H3N/c3*2-1(3)4;/h(H5,2,3,4);2*(H,2,3,4);1H3
InChIKeyKCUBUUWHCYQFNI-UHFFFAOYSA-N
MW202.13 g/mol
LogP-1.69
Rot. Bonds

About azane;guanidine;bis(nitric acid)

azane;guanidine;bis(nitric acid) (PubChem CID 174540476) has the molecular formula CH10N6O6 and a molecular weight of 202.13 g/mol. Its IUPAC name is azane;guanidine;bis(nitric acid).

Molecular Properties

Compound Nameazane;guanidine;bis(nitric acid)
PubChem CID174540476
Molecular FormulaCH10N6O6
Molecular Weight202.13 g/mol
Exact Mass202.07
IUPAC Nameazane;guanidine;bis(nitric acid)
SMILESN.O=[N+]([O-])O.O=[N+]([O-])O.[H]N=C(N)N
InChIInChI=1S/CH5N3.2HNO3.H3N/c3*2-1(3)4;/h(H5,2,3,4);2*(H,2,3,4);1H3
InChIKeyKCUBUUWHCYQFNI-UHFFFAOYSA-N
XLogP-1.69
TPSA237.63 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.13
LogP ≤ 5-1.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 173301783
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CID 173431766
azane;decakis(nitric acid)
CID 173055393
bis(nitric acid);urea
CID 163580845
azane;bis(nitric acid);palladium
CID 6368740
azane;nitric acid;hydrochloride
CID 173035617
azane;cobalt;nitric acid
CID 173271865
azane;nitric acid;rhodium
CID 173316947
CID 173051744
CID 173051744
azane;nitric acid;palladium
CID 173303143

Frequently Asked Questions

What is the IUPAC name of azane;guanidine;bis(nitric acid)?
The IUPAC name of azane;guanidine;bis(nitric acid) (CID 174540476) is azane;guanidine;bis(nitric acid).
What is the SMILES notation for azane;guanidine;bis(nitric acid)?
The canonical SMILES for azane;guanidine;bis(nitric acid) is N.O=[N+]([O-])O.O=[N+]([O-])O.[H]N=C(N)N.
What is the InChIKey of azane;guanidine;bis(nitric acid)?
The InChIKey is KCUBUUWHCYQFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.2HNO3.H3N/c3*2-1(3)4;/h(H5,2,3,4);2*(H,2,3,4);1H3.
What are the key properties of azane;guanidine;bis(nitric acid)?
azane;guanidine;bis(nitric acid) has a molecular weight of 202.13 g/mol, XLogP of -1.69, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;guanidine;bis(nitric acid) is sourced from PubChem (CID 174540476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).