3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide

C8H14BrN5 — CID 162333363

IUPAC3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
SMILESBr.CC1C=C(c2nnn(C)n2)CNC1
InChIInChI=1S/C8H13N5.BrH/c1-6-3-7(5-9-4-6)8-10-12-13(2)11-8;/h3,6,9H,4-5H2,1-2H3;1H
InChIKeyYAJFKDAFQCSESA-UHFFFAOYSA-N
MW260.14 g/mol
LogP0.41
Rot. Bonds1

About 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide

3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide (PubChem CID 162333363) has the molecular formula C8H14BrN5 and a molecular weight of 260.14 g/mol. Its IUPAC name is 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide.

Molecular Properties

Compound Name3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
PubChem CID162333363
Molecular FormulaC8H14BrN5
Molecular Weight260.14 g/mol
Exact Mass259.04
IUPAC Name3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
SMILESBr.CC1C=C(c2nnn(C)n2)CNC1
InChIInChI=1S/C8H13N5.BrH/c1-6-3-7(5-9-4-6)8-10-12-13(2)11-8;/h3,6,9H,4-5H2,1-2H3;1H
InChIKeyYAJFKDAFQCSESA-UHFFFAOYSA-N
XLogP0.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The IUPAC name of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide (CID 162333363) is 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide.
What is the SMILES notation for 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The canonical SMILES for 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide is Br.CC1C=C(c2nnn(C)n2)CNC1.
What is the InChIKey of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The InChIKey is YAJFKDAFQCSESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5.BrH/c1-6-3-7(5-9-4-6)8-10-12-13(2)11-8;/h3,6,9H,4-5H2,1-2H3;1H.
What are the key properties of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide has a molecular weight of 260.14 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide is sourced from PubChem (CID 162333363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).