CID 173357934

C5H5FeKN6 — CID 173357934

IUPAC—
SMILESN.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[Fe].[H][H].[K]
InChIInChI=1S/5CN.Fe.K.H3N.H2/c5*1-2;;;;/h;;;;;;;1H3;1H
InChIKeySMLFTMXBQOHWNZ-UHFFFAOYSA-N
MW244.08 g/mol
LogP0.51
Rot. Bonds

About CID 173357934

CID 173357934 (PubChem CID 173357934) has the molecular formula C5H5FeKN6 and a molecular weight of 244.08 g/mol.

Molecular Properties

Compound NameCID 173357934
PubChem CID173357934
Molecular FormulaC5H5FeKN6
Molecular Weight244.08 g/mol
Exact Mass243.96
IUPAC Name—
SMILESN.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[Fe].[H][H].[K]
InChIInChI=1S/5CN.Fe.K.H3N.H2/c5*1-2;;;;/h;;;;;;;1H3;1H
InChIKeySMLFTMXBQOHWNZ-UHFFFAOYSA-N
XLogP0.51
TPSA153.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173357934?
The IUPAC name of CID 173357934 (CID 173357934) is not available.
What is the SMILES notation for CID 173357934?
The canonical SMILES for CID 173357934 is N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[Fe].[H][H].[K].
What is the InChIKey of CID 173357934?
The InChIKey is SMLFTMXBQOHWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5CN.Fe.K.H3N.H2/c5*1-2;;;;/h;;;;;;;1H3;1H.
What are the key properties of CID 173357934?
CID 173357934 has a molecular weight of 244.08 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173357934 is sourced from PubChem (CID 173357934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).