calcium bis(hydroxy(oxido)diazene)

H2CaN4O4 — CID 173422597

IUPACcalcium bis(hydroxy(oxido)diazene)
SMILES[Ca+2].[O-]N=NO.[O-]N=NO
InChIInChI=1S/Ca.2H2N2O2/c;2*3-1-2-4/h;2*(H,1,4)(H,2,3)/q+2;;/p-2
InChIKeyALPBPSWARIZSHH-UHFFFAOYSA-L
MW162.12 g/mol
LogP0.27
Rot. Bonds

About calcium bis(hydroxy(oxido)diazene)

calcium bis(hydroxy(oxido)diazene) (PubChem CID 173422597) has the molecular formula H2CaN4O4 and a molecular weight of 162.12 g/mol. Its IUPAC name is calcium bis(hydroxy(oxido)diazene).

Molecular Properties

Compound Namecalcium bis(hydroxy(oxido)diazene)
PubChem CID173422597
Molecular FormulaH2CaN4O4
Molecular Weight162.12 g/mol
Exact Mass161.97
IUPAC Namecalcium bis(hydroxy(oxido)diazene)
SMILES[Ca+2].[O-]N=NO.[O-]N=NO
InChIInChI=1S/Ca.2H2N2O2/c;2*3-1-2-4/h;2*(H,1,4)(H,2,3)/q+2;;/p-2
InChIKeyALPBPSWARIZSHH-UHFFFAOYSA-L
XLogP0.27
TPSA136.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azanium (E)-dihydroxydiazene
CID 135752509
Hyponitrous acid, disodium salt, hexahydrate, (E)-
CID 156594548
calcium;sodium;trinitrite
CID 160863553
1-N'-hydroxy-2-N'-oxidoethanediimidamide
CID 135698683
calcium;sodium;hydride;nitrous acid;hydrochloride
CID 175105399
sodium N-oxidopropan-2-imine
CID 23680170
dicalcium;urea;nitrate;nitrite
CID 161317819
oxidoiminoiron(1+)
CID 134872931
oximinosilane
CID 6336883
sodium N-hydroxyethanimidate
CID 102059901
potassium;nitrous acid;chlorate
CID 161014710
CID 161142817
CID 161142817

Frequently Asked Questions

What is the IUPAC name of calcium bis(hydroxy(oxido)diazene)?
The IUPAC name of calcium bis(hydroxy(oxido)diazene) (CID 173422597) is calcium bis(hydroxy(oxido)diazene).
What is the SMILES notation for calcium bis(hydroxy(oxido)diazene)?
The canonical SMILES for calcium bis(hydroxy(oxido)diazene) is [Ca+2].[O-]N=NO.[O-]N=NO.
What is the InChIKey of calcium bis(hydroxy(oxido)diazene)?
The InChIKey is ALPBPSWARIZSHH-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.2H2N2O2/c;2*3-1-2-4/h;2*(H,1,4)(H,2,3)/q+2;;/p-2.
What are the key properties of calcium bis(hydroxy(oxido)diazene)?
calcium bis(hydroxy(oxido)diazene) has a molecular weight of 162.12 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(hydroxy(oxido)diazene) is sourced from PubChem (CID 173422597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).