5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

C13H23N5 — CID 10399826

IUPAC5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCCCn1nnc(C2=CCCN(C)C2)n1
InChIInChI=1S/C13H23N5/c1-3-4-5-6-10-18-15-13(14-16-18)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
InChIKeyLOBCZTWDDNPUTO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.97
Rot. Bonds6

About 5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 10399826) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID10399826
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCCCn1nnc(C2=CCCN(C)C2)n1
InChIInChI=1S/C13H23N5/c1-3-4-5-6-10-18-15-13(14-16-18)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
InChIKeyLOBCZTWDDNPUTO-UHFFFAOYSA-N
XLogP1.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 10399826) is 5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCCCCCn1nnc(C2=CCCN(C)C2)n1.
What is the InChIKey of 5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is LOBCZTWDDNPUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-4-5-6-10-18-15-13(14-16-18)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3.
What are the key properties of 5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 249.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hexyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10399826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).