bis(nitric acid);urea

C2H10N6O8 — CID 163580845

IUPACbis(nitric acid);urea
SMILESNC(N)=O.NC(N)=O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/2CH4N2O.2HNO3/c4*2-1(3)4/h2*(H4,2,3,4);2*(H,2,3,4)
InChIKeyGHKNVDRFFNAVHG-UHFFFAOYSA-N
MW246.14 g/mol
LogP-2.65
Rot. Bonds

About bis(nitric acid);urea

bis(nitric acid);urea (PubChem CID 163580845) has the molecular formula C2H10N6O8 and a molecular weight of 246.14 g/mol. Its IUPAC name is bis(nitric acid);urea.

Molecular Properties

Compound Namebis(nitric acid);urea
PubChem CID163580845
Molecular FormulaC2H10N6O8
Molecular Weight246.14 g/mol
Exact Mass246.06
IUPAC Namebis(nitric acid);urea
SMILESNC(N)=O.NC(N)=O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/2CH4N2O.2HNO3/c4*2-1(3)4/h2*(H4,2,3,4);2*(H,2,3,4)
InChIKeyGHKNVDRFFNAVHG-UHFFFAOYSA-N
XLogP-2.65
TPSA264.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.14
LogP ≤ 5-2.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

nitric acid;urea;hexahydrate
CID 175389070
azanium;urea;nitrate
CID 10130003
azanium;urea;nitrate
CID 172844548
potassium;strontium;bis(nitric acid)
CID 173432991
azane;guanidine;bis(nitric acid)
CID 174540476
azanium;formaldehyde;urea;nitrate
CID 172716681
acetamide;guanidine;nitric acid
CID 173438373
einsteinium;tris(nitric acid)
CID 131879224
mercury;bis(nitric acid)
CID 131842795
azane;tetrakis(nitric acid)
CID 173388272
CID 173119618
CID 173119618
azane;decakis(nitric acid)
CID 173055393

Frequently Asked Questions

What is the IUPAC name of bis(nitric acid);urea?
The IUPAC name of bis(nitric acid);urea (CID 163580845) is bis(nitric acid);urea.
What is the SMILES notation for bis(nitric acid);urea?
The canonical SMILES for bis(nitric acid);urea is NC(N)=O.NC(N)=O.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of bis(nitric acid);urea?
The InChIKey is GHKNVDRFFNAVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH4N2O.2HNO3/c4*2-1(3)4/h2*(H4,2,3,4);2*(H,2,3,4).
What are the key properties of bis(nitric acid);urea?
bis(nitric acid);urea has a molecular weight of 246.14 g/mol, XLogP of -2.65, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nitric acid);urea is sourced from PubChem (CID 163580845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).