5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron

C6H6FeN4 — CID 174858020

IUPAC5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron
SMILESC1=CC(c2nn[nH]n2)C=C1.[Fe]
InChIInChI=1S/C6H6N4.Fe/c1-2-4-5(3-1)6-7-9-10-8-6;/h1-5H,(H,7,8,9,10);
InChIKeyCFPFZNSPNUJLPA-UHFFFAOYSA-N
MW189.99 g/mol
LogP0.41
Rot. Bonds1

About 5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron

5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron (PubChem CID 174858020) has the molecular formula C6H6FeN4 and a molecular weight of 189.99 g/mol. Its IUPAC name is 5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron.

Molecular Properties

Compound Name5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron
PubChem CID174858020
Molecular FormulaC6H6FeN4
Molecular Weight189.99 g/mol
Exact Mass189.99
IUPAC Name5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron
SMILESC1=CC(c2nn[nH]n2)C=C1.[Fe]
InChIInChI=1S/C6H6N4.Fe/c1-2-4-5(3-1)6-7-9-10-8-6;/h1-5H,(H,7,8,9,10);
InChIKeyCFPFZNSPNUJLPA-UHFFFAOYSA-N
XLogP0.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.99
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron?
The IUPAC name of 5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron (CID 174858020) is 5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron.
What is the SMILES notation for 5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron?
The canonical SMILES for 5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron is C1=CC(c2nn[nH]n2)C=C1.[Fe].
What is the InChIKey of 5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron?
The InChIKey is CFPFZNSPNUJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.Fe/c1-2-4-5(3-1)6-7-9-10-8-6;/h1-5H,(H,7,8,9,10);.
What are the key properties of 5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron?
5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron has a molecular weight of 189.99 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron is sourced from PubChem (CID 174858020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).