azane;pentahydrate

H295N95O5 — CID 173288415

IUPACazane;pentahydrate
SMILESN.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.O.O.O
InChIInChI=1S/95H3N.5H2O/h95*1H3;5*1H2
InChIKeyNJGQMFZEXQNPLP-UHFFFAOYSA-N
MW1708.02 g/mol
LogP11.27
Rot. Bonds

About azane;pentahydrate

azane;pentahydrate (PubChem CID 173288415) has the molecular formula H295N95O5 and a molecular weight of 1708.02 g/mol. Its IUPAC name is azane;pentahydrate.

Molecular Properties

Compound Nameazane;pentahydrate
PubChem CID173288415
Molecular FormulaH295N95O5
Molecular Weight1708.02 g/mol
Exact Mass1707.57
IUPAC Nameazane;pentahydrate
SMILESN.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.O.O.O
InChIInChI=1S/95H3N.5H2O/h95*1H3;5*1H2
InChIKeyNJGQMFZEXQNPLP-UHFFFAOYSA-N
XLogP11.27
TPSA3482.50 Ų
H-Bond Donors95
H-Bond Acceptors95
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001708.02
LogP ≤ 511.27
H-Bond Donors ≤ 595
H-Bond Acceptors ≤ 1095

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Related Compounds

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azane;hydrate
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azane;dihydrate;hydrobromide
CID 174896993
azane;hafnium;hydrate
CID 172801077
argon;azane;dihydrate
CID 172687174
azane;hydrate;hydrobromide
CID 141372316
azane;molybdenum;tetrahydrate
CID 172800914
azane;hydrate;dihydrofluoride
CID 173100082
sodium;azane;hydrate
CID 173185966
azane;cobalt(3+);dihydrate
CID 15804321
sodium;azane;hydride;tetrahydrate
CID 173295506

Frequently Asked Questions

What is the IUPAC name of azane;pentahydrate?
The IUPAC name of azane;pentahydrate (CID 173288415) is azane;pentahydrate.
What is the SMILES notation for azane;pentahydrate?
The canonical SMILES for azane;pentahydrate is N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.O.O.O.
What is the InChIKey of azane;pentahydrate?
The InChIKey is NJGQMFZEXQNPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/95H3N.5H2O/h95*1H3;5*1H2.
What are the key properties of azane;pentahydrate?
azane;pentahydrate has a molecular weight of 1708.02 g/mol, XLogP of 11.27, 0 rotatable bonds, 95 hydrogen bond donors, and 95 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pentahydrate is sourced from PubChem (CID 173288415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).