1,3-diaminourea;nitric acid;zinc

CH7N5O4Zn — CID 175035338

IUPAC1,3-diaminourea;nitric acid;zinc
SMILESNNC(=O)NN.O=[N+]([O-])O.[Zn]
InChIInChI=1S/CH6N4O.HNO3.Zn/c2-4-1(6)5-3;2-1(3)4;/h2-3H2,(H2,4,5,6);(H,2,3,4);
InChIKeyNNPIIZIGFUBRPF-UHFFFAOYSA-N
MW218.49 g/mol
LogP-2.32
Rot. Bonds

About 1,3-diaminourea;nitric acid;zinc

1,3-diaminourea;nitric acid;zinc (PubChem CID 175035338) has the molecular formula CH7N5O4Zn and a molecular weight of 218.49 g/mol. Its IUPAC name is 1,3-diaminourea;nitric acid;zinc.

Molecular Properties

Compound Name1,3-diaminourea;nitric acid;zinc
PubChem CID175035338
Molecular FormulaCH7N5O4Zn
Molecular Weight218.49 g/mol
Exact Mass216.98
IUPAC Name1,3-diaminourea;nitric acid;zinc
SMILESNNC(=O)NN.O=[N+]([O-])O.[Zn]
InChIInChI=1S/CH6N4O.HNO3.Zn/c2-4-1(6)5-3;2-1(3)4;/h2-3H2,(H2,4,5,6);(H,2,3,4);
InChIKeyNNPIIZIGFUBRPF-UHFFFAOYSA-N
XLogP-2.32
TPSA156.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.49
LogP ≤ 5-2.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 87072339
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CID 159116698
magnesium 1,3-diaminourea
CID 22123853
CID 172800195
CID 172800195
bis(nitric acid);urea
CID 163580845
nitric acid;silane;titanium
CID 173165208
cycloheptane;1,3-diaminourea
CID 18624283
nitric acid;urea;hexahydrate
CID 175389070
1,3-diaminourea;oxalic acid
CID 174832564
benzene-1,4-diol;1,3-diaminourea
CID 19387491
zinc nitric acid
CID 159016110
CID 173119618
CID 173119618

Frequently Asked Questions

What is the IUPAC name of 1,3-diaminourea;nitric acid;zinc?
The IUPAC name of 1,3-diaminourea;nitric acid;zinc (CID 175035338) is 1,3-diaminourea;nitric acid;zinc.
What is the SMILES notation for 1,3-diaminourea;nitric acid;zinc?
The canonical SMILES for 1,3-diaminourea;nitric acid;zinc is NNC(=O)NN.O=[N+]([O-])O.[Zn].
What is the InChIKey of 1,3-diaminourea;nitric acid;zinc?
The InChIKey is NNPIIZIGFUBRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N4O.HNO3.Zn/c2-4-1(6)5-3;2-1(3)4;/h2-3H2,(H2,4,5,6);(H,2,3,4);.
What are the key properties of 1,3-diaminourea;nitric acid;zinc?
1,3-diaminourea;nitric acid;zinc has a molecular weight of 218.49 g/mol, XLogP of -2.32, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminourea;nitric acid;zinc is sourced from PubChem (CID 175035338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).