oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate

C3H18N3O4+ — CID 161013492

IUPACoxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate
SMILESC.C.N.N#N.O.O=C=O.[H][H].[OH3+]
InChIInChI=1S/CO2.2CH4.N2.H3N.2H2O.H2/c2-1-3;;;1-2;;;;/h;2*1H4;;1H3;2*1H2;1H/p+1
InChIKeyLFNDNKQGSVWYNR-UHFFFAOYSA-O
MW160.19 g/mol
LogP-0.62
Rot. Bonds

About oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate

oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate (PubChem CID 161013492) has the molecular formula C3H18N3O4+ and a molecular weight of 160.19 g/mol. Its IUPAC name is oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate.

Molecular Properties

Compound Nameoxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate
PubChem CID161013492
Molecular FormulaC3H18N3O4+
Molecular Weight160.19 g/mol
Exact Mass160.13
IUPAC Nameoxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate
SMILESC.C.N.N#N.O.O=C=O.[H][H].[OH3+]
InChIInChI=1S/CO2.2CH4.N2.H3N.2H2O.H2/c2-1-3;;;1-2;;;;/h;2*1H4;;1H3;2*1H2;1H/p+1
InChIKeyLFNDNKQGSVWYNR-UHFFFAOYSA-O
XLogP-0.62
TPSA181.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

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CID 159931681
bis(carbon dioxide);hydron;methane;hydrate
CID 159112551
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CID 157336071
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CID 159377395
bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen
CID 158389486
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CID 159496559
CID 162300786
CID 162300786
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CID 158413154

Frequently Asked Questions

What is the IUPAC name of oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate?
The IUPAC name of oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate (CID 161013492) is oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate.
What is the SMILES notation for oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate?
The canonical SMILES for oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate is C.C.N.N#N.O.O=C=O.[H][H].[OH3+].
What is the InChIKey of oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate?
The InChIKey is LFNDNKQGSVWYNR-UHFFFAOYSA-O. The full InChI is InChI=1S/CO2.2CH4.N2.H3N.2H2O.H2/c2-1-3;;;1-2;;;;/h;2*1H4;;1H3;2*1H2;1H/p+1.
What are the key properties of oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate?
oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate has a molecular weight of 160.19 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate is sourced from PubChem (CID 161013492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).