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

C7H12BrN5 — CID 131716105

IUPAC5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
SMILESBr.Cn1nnc(C2=CCCNC2)n1
InChIInChI=1S/C7H11N5.BrH/c1-12-10-7(9-11-12)6-3-2-4-8-5-6;/h3,8H,2,4-5H2,1H3;1H
InChIKeyCYSDAFNMOYELFS-UHFFFAOYSA-N
MW246.11 g/mol
LogP0.16
Rot. Bonds1

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

5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide (PubChem CID 131716105) has the molecular formula C7H12BrN5 and a molecular weight of 246.11 g/mol. Its IUPAC name is 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide.

Molecular Properties

Compound Name5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
PubChem CID131716105
Molecular FormulaC7H12BrN5
Molecular Weight246.11 g/mol
Exact Mass245.03
IUPAC Name5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
SMILESBr.Cn1nnc(C2=CCCNC2)n1
InChIInChI=1S/C7H11N5.BrH/c1-12-10-7(9-11-12)6-3-2-4-8-5-6;/h3,8H,2,4-5H2,1H3;1H
InChIKeyCYSDAFNMOYELFS-UHFFFAOYSA-N
XLogP0.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The IUPAC name of 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide (CID 131716105) is 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide.
What is the SMILES notation for 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The canonical SMILES for 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide is Br.Cn1nnc(C2=CCCNC2)n1.
What is the InChIKey of 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The InChIKey is CYSDAFNMOYELFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5.BrH/c1-12-10-7(9-11-12)6-3-2-4-8-5-6;/h3,8H,2,4-5H2,1H3;1H.
What are the key properties of 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide has a molecular weight of 246.11 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide is sourced from PubChem (CID 131716105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).