azane;pyrazine;hydrate

C4H9N3O — CID 172838555

IUPACazane;pyrazine;hydrate
SMILESN.O.c1cnccn1
InChIInChI=1S/C4H4N2.H3N.H2O/c1-2-6-4-3-5-1;;/h1-4H;1H3;1H2
InChIKeyDPQPDXHCWXCGBF-UHFFFAOYSA-N
MW115.14 g/mol
LogP-0.19
Rot. Bonds

About azane;pyrazine;hydrate

azane;pyrazine;hydrate (PubChem CID 172838555) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is azane;pyrazine;hydrate.

Molecular Properties

Compound Nameazane;pyrazine;hydrate
PubChem CID172838555
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Nameazane;pyrazine;hydrate
SMILESN.O.c1cnccn1
InChIInChI=1S/C4H4N2.H3N.H2O/c1-2-6-4-3-5-1;;/h1-4H;1H3;1H2
InChIKeyDPQPDXHCWXCGBF-UHFFFAOYSA-N
XLogP-0.19
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

molecular nitrogen;pyrazine;hydrate
CID 175104892
iron(2+);pyrazine
CID 175741180
manganese;pyrazine
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CID 174745965
ethane;pyrazine
CID 91065767
pyrazine;1,3,5-triazine
CID 69369333
ethanol;pyrazine;hydrate
CID 175344980
pyrazine;bis(pyridine)
CID 159366306
2,2-dimethylpropane;pyrazine
CID 143896463
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CID 46181180
azane;hafnium;pyridine
CID 175062333
bis(pyridine);hydrate;hydrochloride
CID 173340794

Frequently Asked Questions

What is the IUPAC name of azane;pyrazine;hydrate?
The IUPAC name of azane;pyrazine;hydrate (CID 172838555) is azane;pyrazine;hydrate.
What is the SMILES notation for azane;pyrazine;hydrate?
The canonical SMILES for azane;pyrazine;hydrate is N.O.c1cnccn1.
What is the InChIKey of azane;pyrazine;hydrate?
The InChIKey is DPQPDXHCWXCGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.H3N.H2O/c1-2-6-4-3-5-1;;/h1-4H;1H3;1H2.
What are the key properties of azane;pyrazine;hydrate?
azane;pyrazine;hydrate has a molecular weight of 115.14 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pyrazine;hydrate is sourced from PubChem (CID 172838555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).