5-(2-iodoethyl)-2H-tetrazole

C3H5IN4 — CID 118328240

IUPAC5-(2-iodoethyl)-2H-tetrazole
SMILESICCc1nn[nH]n1
InChIInChI=1S/C3H5IN4/c4-2-1-3-5-7-8-6-3/h1-2H2,(H,5,6,7,8)
InChIKeySREWJKORYYMKAE-UHFFFAOYSA-N
MW224.00 g/mol
LogP0.18
Rot. Bonds2

About 5-(2-iodoethyl)-2H-tetrazole

5-(2-iodoethyl)-2H-tetrazole (PubChem CID 118328240) has the molecular formula C3H5IN4 and a molecular weight of 224.00 g/mol. Its IUPAC name is 5-(2-iodoethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-iodoethyl)-2H-tetrazole
PubChem CID118328240
Molecular FormulaC3H5IN4
Molecular Weight224.00 g/mol
Exact Mass223.96
IUPAC Name5-(2-iodoethyl)-2H-tetrazole
SMILESICCc1nn[nH]n1
InChIInChI=1S/C3H5IN4/c4-2-1-3-5-7-8-6-3/h1-2H2,(H,5,6,7,8)
InChIKeySREWJKORYYMKAE-UHFFFAOYSA-N
XLogP0.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
5-(3-fluoropropyl)-2H-tetrazole
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5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole
CID 13101701
5-pentyl-2H-tetrazole
CID 139080284
2-(2H-tetrazol-5-yl)ethylphosphonic acid
CID 58953032
2H-tetrazol-5-ylmethanamine
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5-(5-methylhexyl)-2H-tetrazole
CID 21044006
5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole
CID 107912909
5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole
CID 104564181
5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole
CID 61494091
N,N-dimethyl-1-(2H-tetrazol-5-yl)methanamine
CID 14787295
5-ethyl-2H-tetrazole;molecular hydrogen;vanadium
CID 143273241

Frequently Asked Questions

What is the IUPAC name of 5-(2-iodoethyl)-2H-tetrazole?
The IUPAC name of 5-(2-iodoethyl)-2H-tetrazole (CID 118328240) is 5-(2-iodoethyl)-2H-tetrazole.
What is the SMILES notation for 5-(2-iodoethyl)-2H-tetrazole?
The canonical SMILES for 5-(2-iodoethyl)-2H-tetrazole is ICCc1nn[nH]n1.
What is the InChIKey of 5-(2-iodoethyl)-2H-tetrazole?
The InChIKey is SREWJKORYYMKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IN4/c4-2-1-3-5-7-8-6-3/h1-2H2,(H,5,6,7,8).
What are the key properties of 5-(2-iodoethyl)-2H-tetrazole?
5-(2-iodoethyl)-2H-tetrazole has a molecular weight of 224.00 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodoethyl)-2H-tetrazole is sourced from PubChem (CID 118328240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).