5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole

C9H16ClN5 — CID 131162490

IUPAC5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole
SMILESCCC1C(CCl)CCN1c1nnnn1C
InChIInChI=1S/C9H16ClN5/c1-3-8-7(6-10)4-5-15(8)9-11-12-13-14(9)2/h7-8H,3-6H2,1-2H3
InChIKeyDCLSJOLXDZADDY-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.05
Rot. Bonds3

About 5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole

5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole (PubChem CID 131162490) has the molecular formula C9H16ClN5 and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole.

Molecular Properties

Compound Name5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole
PubChem CID131162490
Molecular FormulaC9H16ClN5
Molecular Weight229.71 g/mol
Exact Mass229.11
IUPAC Name5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole
SMILESCCC1C(CCl)CCN1c1nnnn1C
InChIInChI=1S/C9H16ClN5/c1-3-8-7(6-10)4-5-15(8)9-11-12-13-14(9)2/h7-8H,3-6H2,1-2H3
InChIKeyDCLSJOLXDZADDY-UHFFFAOYSA-N
XLogP1.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole?
The IUPAC name of 5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole (CID 131162490) is 5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole.
What is the SMILES notation for 5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole?
The canonical SMILES for 5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole is CCC1C(CCl)CCN1c1nnnn1C.
What is the InChIKey of 5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole?
The InChIKey is DCLSJOLXDZADDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-3-8-7(6-10)4-5-15(8)9-11-12-13-14(9)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole?
5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole has a molecular weight of 229.71 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-1-methyltetrazole is sourced from PubChem (CID 131162490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).