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

C8H14BrN5 — CID 162319052

IUPAC5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
SMILESBr.CCn1nnc(C2=CCCNC2)n1
InChIInChI=1S/C8H13N5.BrH/c1-2-13-11-8(10-12-13)7-4-3-5-9-6-7;/h4,9H,2-3,5-6H2,1H3;1H
InChIKeyXXDPRDHSBXKYTM-UHFFFAOYSA-N
MW260.14 g/mol
LogP0.65
Rot. Bonds2

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

5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide (PubChem CID 162319052) has the molecular formula C8H14BrN5 and a molecular weight of 260.14 g/mol. Its IUPAC name is 5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide.

Molecular Properties

Compound Name5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
PubChem CID162319052
Molecular FormulaC8H14BrN5
Molecular Weight260.14 g/mol
Exact Mass259.04
IUPAC Name5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
SMILESBr.CCn1nnc(C2=CCCNC2)n1
InChIInChI=1S/C8H13N5.BrH/c1-2-13-11-8(10-12-13)7-4-3-5-9-6-7;/h4,9H,2-3,5-6H2,1H3;1H
InChIKeyXXDPRDHSBXKYTM-UHFFFAOYSA-N
XLogP0.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The IUPAC name of 5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide (CID 162319052) is 5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide.
What is the SMILES notation for 5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The canonical SMILES for 5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide is Br.CCn1nnc(C2=CCCNC2)n1.
What is the InChIKey of 5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The InChIKey is XXDPRDHSBXKYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5.BrH/c1-2-13-11-8(10-12-13)7-4-3-5-9-6-7;/h4,9H,2-3,5-6H2,1H3;1H.
What are the key properties of 5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide has a molecular weight of 260.14 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide is sourced from PubChem (CID 162319052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).