N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate

C4H10N7O10-3 — CID 158150352

IUPACN,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate
SMILESO=[N+]([O-])N(CCO)CCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[N-]=[N+]=[N-]
InChIInChI=1S/C4H10N2O4.N3.2NO3/c7-3-1-5(2-4-8)6(9)10;1-3-2;2*2-1(3)4/h7-8H,1-4H2;;;/q;3*-1
InChIKeyUWPLCFZTYAVGJC-UHFFFAOYSA-N
MW316.16 g/mol
LogP-1.15
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate

N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate (PubChem CID 158150352) has the molecular formula C4H10N7O10-3 and a molecular weight of 316.16 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate
PubChem CID158150352
Molecular FormulaC4H10N7O10-3
Molecular Weight316.16 g/mol
Exact Mass316.05
IUPAC NameN,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate
SMILESO=[N+]([O-])N(CCO)CCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[N-]=[N+]=[N-]
InChIInChI=1S/C4H10N2O4.N3.2NO3/c7-3-1-5(2-4-8)6(9)10;1-3-2;2*2-1(3)4/h7-8H,1-4H2;;;/q;3*-1
InChIKeyUWPLCFZTYAVGJC-UHFFFAOYSA-N
XLogP-1.15
TPSA277.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-(2-hydroxyethyl)nitramide
CID 15403519
aniline;N,N-bis(2-hydroxyethyl)nitramide
CID 22734908
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate
CID 159119713
N-(2-hydroxyethyl)-N-methylnitramide;nitric acid
CID 23619411
silver;ethane-1,2-diol;nitrate
CID 87126324
2-[nitro-[2-[nitro(2-nitrooxyethyl)amino]ethyl]amino]ethyl nitrate
CID 87945340
dicopper;bis(2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanolate);dinitrate
CID 139142088
bismuth;ethane-1,2-diol;trinitrate;pentahydrate
CID 158381527
N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide
CID 12507555
azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate
CID 174777974
[bis(2-hydroxyethyl)amino]-(1-chloroethoxyamino)-oxoazanium
CID 118244249
N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide
CID 20123

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate?
The IUPAC name of N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate (CID 158150352) is N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate?
The canonical SMILES for N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate is O=[N+]([O-])N(CCO)CCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[N-]=[N+]=[N-].
What is the InChIKey of N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate?
The InChIKey is UWPLCFZTYAVGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4.N3.2NO3/c7-3-1-5(2-4-8)6(9)10;1-3-2;2*2-1(3)4/h7-8H,1-4H2;;;/q;3*-1.
What are the key properties of N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate?
N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate has a molecular weight of 316.16 g/mol, XLogP of -1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate is sourced from PubChem (CID 158150352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).