nitric acid;urea;hexahydrate

CH17N3O10 — CID 175389070

IUPACnitric acid;urea;hexahydrate
SMILESNC(N)=O.O.O.O.O.O.O.O=[N+]([O-])O
InChIInChI=1S/CH4N2O.HNO3.6H2O/c2*2-1(3)4;;;;;;/h(H4,2,3,4);(H,2,3,4);6*1H2
InChIKeyCIQVRPAWCZJMMO-UHFFFAOYSA-N
MW231.16 g/mol
LogP-6.27
Rot. Bonds

About nitric acid;urea;hexahydrate

nitric acid;urea;hexahydrate (PubChem CID 175389070) has the molecular formula CH17N3O10 and a molecular weight of 231.16 g/mol. Its IUPAC name is nitric acid;urea;hexahydrate.

Molecular Properties

Compound Namenitric acid;urea;hexahydrate
PubChem CID175389070
Molecular FormulaCH17N3O10
Molecular Weight231.16 g/mol
Exact Mass231.09
IUPAC Namenitric acid;urea;hexahydrate
SMILESNC(N)=O.O.O.O.O.O.O.O=[N+]([O-])O
InChIInChI=1S/CH4N2O.HNO3.6H2O/c2*2-1(3)4;;;;;;/h(H4,2,3,4);(H,2,3,4);6*1H2
InChIKeyCIQVRPAWCZJMMO-UHFFFAOYSA-N
XLogP-6.27
TPSA321.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 5-6.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

bis(nitric acid);urea
CID 163580845
nitric acid;dodecahydrate
CID 172786901
tris(nitric acid);hexahydrate
CID 161328835
azanium;urea;nitrate
CID 10130003
azanium;urea;nitrate
CID 172844548
europium;tris(nitric acid);hexahydrate
CID 121488051
neodymium;nitric acid;pentahydrate
CID 173320282
potassium;strontium;bis(nitric acid)
CID 173432991
tris(nitric acid);ytterbium;pentahydrate
CID 131852866
cobalt;nitric acid;nonahydrate
CID 173001621
iron;nitric acid;nonahydrate
CID 161165031
gadolinium;tris(nitric acid);pentahydrate
CID 131880314

Frequently Asked Questions

What is the IUPAC name of nitric acid;urea;hexahydrate?
The IUPAC name of nitric acid;urea;hexahydrate (CID 175389070) is nitric acid;urea;hexahydrate.
What is the SMILES notation for nitric acid;urea;hexahydrate?
The canonical SMILES for nitric acid;urea;hexahydrate is NC(N)=O.O.O.O.O.O.O.O=[N+]([O-])O.
What is the InChIKey of nitric acid;urea;hexahydrate?
The InChIKey is CIQVRPAWCZJMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.HNO3.6H2O/c2*2-1(3)4;;;;;;/h(H4,2,3,4);(H,2,3,4);6*1H2.
What are the key properties of nitric acid;urea;hexahydrate?
nitric acid;urea;hexahydrate has a molecular weight of 231.16 g/mol, XLogP of -6.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;urea;hexahydrate is sourced from PubChem (CID 175389070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).