N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide

C4H6IN5O — CID 122536263

IUPACN-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide
SMILESO=C(I)NCCn1cnnn1
InChIInChI=1S/C4H6IN5O/c5-4(11)6-1-2-10-3-7-8-9-10/h3H,1-2H2,(H,6,11)
InChIKeyRXQQCSKWXQLRQM-UHFFFAOYSA-N
MW267.03 g/mol
LogP-0.18
Rot. Bonds3

About N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide

N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide (PubChem CID 122536263) has the molecular formula C4H6IN5O and a molecular weight of 267.03 g/mol. Its IUPAC name is N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide.

Molecular Properties

Compound NameN-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide
PubChem CID122536263
Molecular FormulaC4H6IN5O
Molecular Weight267.03 g/mol
Exact Mass266.96
IUPAC NameN-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide
SMILESO=C(I)NCCn1cnnn1
InChIInChI=1S/C4H6IN5O/c5-4(11)6-1-2-10-3-7-8-9-10/h3H,1-2H2,(H,6,11)
InChIKeyRXQQCSKWXQLRQM-UHFFFAOYSA-N
XLogP-0.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide?
The IUPAC name of N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide (CID 122536263) is N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide.
What is the SMILES notation for N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide?
The canonical SMILES for N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide is O=C(I)NCCn1cnnn1.
What is the InChIKey of N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide?
The InChIKey is RXQQCSKWXQLRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6IN5O/c5-4(11)6-1-2-10-3-7-8-9-10/h3H,1-2H2,(H,6,11).
What are the key properties of N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide?
N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide has a molecular weight of 267.03 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tetrazol-1-yl)ethyl]carbamoyl iodide is sourced from PubChem (CID 122536263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).