8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine

C8H13BrN4 — CID 11064659

IUPAC8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESBrCCCC1CCCn2nnnc21
InChIInChI=1S/C8H13BrN4/c9-5-1-3-7-4-2-6-13-8(7)10-11-12-13/h7H,1-6H2
InChIKeySLBWDICCBZFICI-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.73
Rot. Bonds3

About 8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine

8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (PubChem CID 11064659) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is 8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
PubChem CID11064659
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESBrCCCC1CCCn2nnnc21
InChIInChI=1S/C8H13BrN4/c9-5-1-3-7-4-2-6-13-8(7)10-11-12-13/h7H,1-6H2
InChIKeySLBWDICCBZFICI-UHFFFAOYSA-N
XLogP1.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.73
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-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The IUPAC name of 8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (CID 11064659) is 8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The canonical SMILES for 8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is BrCCCC1CCCn2nnnc21.
What is the InChIKey of 8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The InChIKey is SLBWDICCBZFICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c9-5-1-3-7-4-2-6-13-8(7)10-11-12-13/h7H,1-6H2.
What are the key properties of 8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine has a molecular weight of 245.12 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is sourced from PubChem (CID 11064659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).