5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole

C8H13ClN4O — CID 130921193

IUPAC5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole
SMILESCC1CC(n2nnnc2CCl)C(C)O1
InChIInChI=1S/C8H13ClN4O/c1-5-3-7(6(2)14-5)13-8(4-9)10-11-12-13/h5-7H,3-4H2,1-2H3
InChIKeyORSLOFQINMFEFM-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.15
Rot. Bonds2

About 5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole

5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole (PubChem CID 130921193) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole
PubChem CID130921193
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole
SMILESCC1CC(n2nnnc2CCl)C(C)O1
InChIInChI=1S/C8H13ClN4O/c1-5-3-7(6(2)14-5)13-8(4-9)10-11-12-13/h5-7H,3-4H2,1-2H3
InChIKeyORSLOFQINMFEFM-UHFFFAOYSA-N
XLogP1.15
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole
CID 62736611
5-(chloromethyl)-1-(2,3-dimethylcyclohexyl)tetrazole
CID 62736609
5-(chloromethyl)-1-(1,4-dioxepan-6-yl)tetrazole
CID 131159526
5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole
CID 64743405
N-[[1-(2-methyloxan-4-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114109347
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 63999774
5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole
CID 62736064
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63997160
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyloxolan-3-amine
CID 115892141
N-[[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 80732011
2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid
CID 82228275
3-(chloromethyl)-4-cyclopropyl-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-triazole
CID 113301930

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole?
The IUPAC name of 5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole (CID 130921193) is 5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole.
What is the SMILES notation for 5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole?
The canonical SMILES for 5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole is CC1CC(n2nnnc2CCl)C(C)O1.
What is the InChIKey of 5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole?
The InChIKey is ORSLOFQINMFEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-5-3-7(6(2)14-5)13-8(4-9)10-11-12-13/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole?
5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole has a molecular weight of 216.67 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2,5-dimethyloxolan-3-yl)tetrazole is sourced from PubChem (CID 130921193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).