molecular nitrogen;pyrazine;hydrate

C4H6N4O — CID 175104892

IUPACmolecular nitrogen;pyrazine;hydrate
SMILESN#N.O.c1cnccn1
InChIInChI=1S/C4H4N2.N2.H2O/c1-2-6-4-3-5-1;1-2;/h1-4H;;1H2
InChIKeyNYBXVEVYQDZEMI-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.32
Rot. Bonds

About molecular nitrogen;pyrazine;hydrate

molecular nitrogen;pyrazine;hydrate (PubChem CID 175104892) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is molecular nitrogen;pyrazine;hydrate.

Molecular Properties

Compound Namemolecular nitrogen;pyrazine;hydrate
PubChem CID175104892
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Namemolecular nitrogen;pyrazine;hydrate
SMILESN#N.O.c1cnccn1
InChIInChI=1S/C4H4N2.N2.H2O/c1-2-6-4-3-5-1;1-2;/h1-4H;;1H2
InChIKeyNYBXVEVYQDZEMI-UHFFFAOYSA-N
XLogP-0.32
TPSA104.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;pyrazine;hydrate
CID 172838555
iron(2+);pyrazine
CID 175741180
manganese;pyrazine
CID 159574083
molecular hydrogen;pyrazine
CID 174745965
ethane;pyrazine
CID 91065767
pyrazine;1,3,5-triazine
CID 69369333
ethanol;pyrazine;hydrate
CID 175344980
2,2-dimethylpropane;pyrazine
CID 143896463
pyrazine;bis(pyridine)
CID 159366306
bis(pyridine);hydrate;hydrochloride
CID 173340794
ethanol;pyrazine
CID 68904554
pyridine
CID 160878650

Frequently Asked Questions

What is the IUPAC name of molecular nitrogen;pyrazine;hydrate?
The IUPAC name of molecular nitrogen;pyrazine;hydrate (CID 175104892) is molecular nitrogen;pyrazine;hydrate.
What is the SMILES notation for molecular nitrogen;pyrazine;hydrate?
The canonical SMILES for molecular nitrogen;pyrazine;hydrate is N#N.O.c1cnccn1.
What is the InChIKey of molecular nitrogen;pyrazine;hydrate?
The InChIKey is NYBXVEVYQDZEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.N2.H2O/c1-2-6-4-3-5-1;1-2;/h1-4H;;1H2.
What are the key properties of molecular nitrogen;pyrazine;hydrate?
molecular nitrogen;pyrazine;hydrate has a molecular weight of 126.12 g/mol, XLogP of -0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular nitrogen;pyrazine;hydrate is sourced from PubChem (CID 175104892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).