8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine

C7H11ClN4 — CID 15304951

IUPAC8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESClCCC1CCCn2nnnc21
InChIInChI=1S/C7H11ClN4/c8-4-3-6-2-1-5-12-7(6)9-10-11-12/h6H,1-5H2
InChIKeyOLGBBFSTAJXPSF-UHFFFAOYSA-N
MW186.65 g/mol
LogP1.18
Rot. Bonds2

About 8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine

8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (PubChem CID 15304951) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
PubChem CID15304951
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESClCCC1CCCn2nnnc21
InChIInChI=1S/C7H11ClN4/c8-4-3-6-2-1-5-12-7(6)9-10-11-12/h6H,1-5H2
InChIKeyOLGBBFSTAJXPSF-UHFFFAOYSA-N
XLogP1.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 51.18
H-Bond Donors ≤ 50
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 8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The IUPAC name of 8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (CID 15304951) is 8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The canonical SMILES for 8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is ClCCC1CCCn2nnnc21.
What is the InChIKey of 8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The InChIKey is OLGBBFSTAJXPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c8-4-3-6-2-1-5-12-7(6)9-10-11-12/h6H,1-5H2.
What are the key properties of 8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine has a molecular weight of 186.65 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is sourced from PubChem (CID 15304951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).