magnesium 1,3-diaminourea

CH6MgN4O+2 — CID 22123853

IUPACmagnesium 1,3-diaminourea
SMILESNNC(=O)NN.[Mg+2]
InChIInChI=1S/CH6N4O.Mg/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);/q;+2
InChIKeyPZMGIZCAWTZIRO-UHFFFAOYSA-N
MW114.39 g/mol
LogP-2.35
Rot. Bonds

About magnesium 1,3-diaminourea

magnesium 1,3-diaminourea (PubChem CID 22123853) has the molecular formula CH6MgN4O+2 and a molecular weight of 114.39 g/mol. Its IUPAC name is magnesium 1,3-diaminourea.

Molecular Properties

Compound Namemagnesium 1,3-diaminourea
PubChem CID22123853
Molecular FormulaCH6MgN4O+2
Molecular Weight114.39 g/mol
Exact Mass114.04
IUPAC Namemagnesium 1,3-diaminourea
SMILESNNC(=O)NN.[Mg+2]
InChIInChI=1S/CH6N4O.Mg/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);/q;+2
InChIKeyPZMGIZCAWTZIRO-UHFFFAOYSA-N
XLogP-2.35
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.39
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;bis(1,3-diaminourea)
CID 87072339
1,3-diaminourea;methane
CID 159116698
CID 172800195
CID 172800195
1,3-diaminourea;phosphane
CID 159962214
cycloheptane;1,3-diaminourea
CID 18624283
1,3-diaminourea;oxalic acid
CID 174832564
1,3-diaminourea;nitric acid;zinc
CID 175035338
benzene-1,4-diol;1,3-diaminourea
CID 19387491
1,3-diaminourea;2H-triazole
CID 161045839
1,3-diaminourea;piperidine
CID 159999921
1,3-diaminourea;2-(2-hydroxyethoxy)ethanol
CID 159824240
1-amino-3-(iodoamino)urea
CID 151741118

Frequently Asked Questions

What is the IUPAC name of magnesium 1,3-diaminourea?
The IUPAC name of magnesium 1,3-diaminourea (CID 22123853) is magnesium 1,3-diaminourea.
What is the SMILES notation for magnesium 1,3-diaminourea?
The canonical SMILES for magnesium 1,3-diaminourea is NNC(=O)NN.[Mg+2].
What is the InChIKey of magnesium 1,3-diaminourea?
The InChIKey is PZMGIZCAWTZIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N4O.Mg/c2-4-1(6)5-3;/h2-3H2,(H2,4,5,6);/q;+2.
What are the key properties of magnesium 1,3-diaminourea?
magnesium 1,3-diaminourea has a molecular weight of 114.39 g/mol, XLogP of -2.35, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 1,3-diaminourea is sourced from PubChem (CID 22123853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).