azane;carbon dioxide;methane;urea;hydrate

C6H28N4O4 — CID 157439733

IUPACazane;carbon dioxide;methane;urea;hydrate
SMILESC.C.C.C.N.N.NC(N)=O.O.O=C=O
InChIInChI=1S/CH4N2O.CO2.4CH4.2H3N.H2O/c2-1(3)4;2-1-3;;;;;;;/h(H4,2,3,4);;4*1H4;2*1H3;1H2
InChIKeyHYNITSXXBXJZSH-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.48
Rot. Bonds

About azane;carbon dioxide;methane;urea;hydrate

azane;carbon dioxide;methane;urea;hydrate (PubChem CID 157439733) has the molecular formula C6H28N4O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is azane;carbon dioxide;methane;urea;hydrate.

Molecular Properties

Compound Nameazane;carbon dioxide;methane;urea;hydrate
PubChem CID157439733
Molecular FormulaC6H28N4O4
Molecular Weight220.31 g/mol
Exact Mass220.21
IUPAC Nameazane;carbon dioxide;methane;urea;hydrate
SMILESC.C.C.C.N.N.NC(N)=O.O.O=C=O
InChIInChI=1S/CH4N2O.CO2.4CH4.2H3N.H2O/c2-1(3)4;2-1-3;;;;;;;/h(H4,2,3,4);;4*1H4;2*1H3;1H2
InChIKeyHYNITSXXBXJZSH-UHFFFAOYSA-N
XLogP0.48
TPSA204.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze azane;carbon dioxide;methane;urea;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;carbamic acid;carbon dioxide
CID 173237577
azane;urea
CID 158949980
urea;hydrate;hydrobromide
CID 160976680
calcium;azane;urea
CID 172861294
CID 172820708
CID 172820708
diamino(113C)methanone
CID 636363
azane;carbon dioxide;ethene;methane;hydrate
CID 172744439
azane;tris(carbon dioxide);deuterium monohydride;methane;heptahydrate
CID 161349818
calcium;hydride;urea;hydrate
CID 174880700
azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate
CID 158684118
CID 88605054
CID 88605054
barium(2+);urea
CID 22402807

Frequently Asked Questions

What is the IUPAC name of azane;carbon dioxide;methane;urea;hydrate?
The IUPAC name of azane;carbon dioxide;methane;urea;hydrate (CID 157439733) is azane;carbon dioxide;methane;urea;hydrate.
What is the SMILES notation for azane;carbon dioxide;methane;urea;hydrate?
The canonical SMILES for azane;carbon dioxide;methane;urea;hydrate is C.C.C.C.N.N.NC(N)=O.O.O=C=O.
What is the InChIKey of azane;carbon dioxide;methane;urea;hydrate?
The InChIKey is HYNITSXXBXJZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.CO2.4CH4.2H3N.H2O/c2-1(3)4;2-1-3;;;;;;;/h(H4,2,3,4);;4*1H4;2*1H3;1H2.
What are the key properties of azane;carbon dioxide;methane;urea;hydrate?
azane;carbon dioxide;methane;urea;hydrate has a molecular weight of 220.31 g/mol, XLogP of 0.48, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbon dioxide;methane;urea;hydrate is sourced from PubChem (CID 157439733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).