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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Related Compounds

5-(6-chlorocyclohexa-2,4-dien-1-yl)-2H-tetrazole
CID 175705459
5-(2,3-dihydro-1H-inden-2-yl)-2H-tetrazole
CID 65415499
2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 54092492
2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one
CID 173058330
1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride
CID 69090323
5-pyrrolidin-2-yl-2H-tetrazole;hydrochloride
CID 42962676
5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
CID 14662611
5-[(4R)-3-methylimidazolidin-4-yl]-2H-tetrazole
CID 143474553
5-[3,5-bis(trifluoromethyl)cyclohexyl]-2H-tetrazole
CID 146619220
sodium;hydride;5-pyrrolidin-2-yl-2H-tetrazole
CID 173085880
3-(2H-tetrazol-5-yl)piperidine
CID 10374637
cesium;hydride;5-[(2R)-pyrrolidin-2-yl]-2H-tetrazole
CID 173085630

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).