CID 172827766

C3H8MgN2O2 — CID 172827766

IUPAC—
SMILESO.O.[Mg].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Mg.2H2O/c1-2-5-3-4-1;;;/h1-3H,(H,4,5);;2*1H2
InChIKeyVCIHZOVFYXSSDK-UHFFFAOYSA-N
MW128.41 g/mol
LogP-1.62
Rot. Bonds

About CID 172827766

CID 172827766 (PubChem CID 172827766) has the molecular formula C3H8MgN2O2 and a molecular weight of 128.41 g/mol.

Molecular Properties

Compound NameCID 172827766
PubChem CID172827766
Molecular FormulaC3H8MgN2O2
Molecular Weight128.41 g/mol
Exact Mass128.04
IUPAC Name—
SMILESO.O.[Mg].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Mg.2H2O/c1-2-5-3-4-1;;;/h1-3H,(H,4,5);;2*1H2
InChIKeyVCIHZOVFYXSSDK-UHFFFAOYSA-N
XLogP-1.62
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.41
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 172827766?
The IUPAC name of CID 172827766 (CID 172827766) is not available.
What is the SMILES notation for CID 172827766?
The canonical SMILES for CID 172827766 is O.O.[Mg].c1c[nH]cn1.
What is the InChIKey of CID 172827766?
The InChIKey is VCIHZOVFYXSSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.Mg.2H2O/c1-2-5-3-4-1;;;/h1-3H,(H,4,5);;2*1H2.
What are the key properties of CID 172827766?
CID 172827766 has a molecular weight of 128.41 g/mol, XLogP of -1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172827766 is sourced from PubChem (CID 172827766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).