5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole

C7H11ClN4O — CID 91500324

IUPAC5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole
SMILESClCC1CCC(c2nn[nH]n2)OC1
InChIInChI=1S/C7H11ClN4O/c8-3-5-1-2-6(13-4-5)7-9-11-12-10-7/h5-6H,1-4H2,(H,9,10,11,12)
InChIKeyXEXGGZWHQAVTSO-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.91
Rot. Bonds2

About 5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole

5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole (PubChem CID 91500324) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole
PubChem CID91500324
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole
SMILESClCC1CCC(c2nn[nH]n2)OC1
InChIInChI=1S/C7H11ClN4O/c8-3-5-1-2-6(13-4-5)7-9-11-12-10-7/h5-6H,1-4H2,(H,9,10,11,12)
InChIKeyXEXGGZWHQAVTSO-UHFFFAOYSA-N
XLogP0.91
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole?
The IUPAC name of 5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole (CID 91500324) is 5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole is ClCC1CCC(c2nn[nH]n2)OC1.
What is the InChIKey of 5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole?
The InChIKey is XEXGGZWHQAVTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c8-3-5-1-2-6(13-4-5)7-9-11-12-10-7/h5-6H,1-4H2,(H,9,10,11,12).
What are the key properties of 5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole?
5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole has a molecular weight of 202.64 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(chloromethyl)oxan-2-yl]-2H-tetrazole is sourced from PubChem (CID 91500324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).