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

C9H16BrN5 — CID 162322218

IUPAC5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
SMILESBr.CC(C)n1nnc(C2=CCCNC2)n1
InChIInChI=1S/C9H15N5.BrH/c1-7(2)14-12-9(11-13-14)8-4-3-5-10-6-8;/h4,7,10H,3,5-6H2,1-2H3;1H
InChIKeyWLOZEEPLWMWNPN-UHFFFAOYSA-N
MW274.17 g/mol
LogP1.21
Rot. Bonds2

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

5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide (PubChem CID 162322218) has the molecular formula C9H16BrN5 and a molecular weight of 274.17 g/mol. Its IUPAC name is 5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide.

Molecular Properties

Compound Name5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
PubChem CID162322218
Molecular FormulaC9H16BrN5
Molecular Weight274.17 g/mol
Exact Mass273.06
IUPAC Name5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
SMILESBr.CC(C)n1nnc(C2=CCCNC2)n1
InChIInChI=1S/C9H15N5.BrH/c1-7(2)14-12-9(11-13-14)8-4-3-5-10-6-8;/h4,7,10H,3,5-6H2,1-2H3;1H
InChIKeyWLOZEEPLWMWNPN-UHFFFAOYSA-N
XLogP1.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The IUPAC name of 5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide (CID 162322218) is 5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide.
What is the SMILES notation for 5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The canonical SMILES for 5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide is Br.CC(C)n1nnc(C2=CCCNC2)n1.
What is the InChIKey of 5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The InChIKey is WLOZEEPLWMWNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5.BrH/c1-7(2)14-12-9(11-13-14)8-4-3-5-10-6-8;/h4,7,10H,3,5-6H2,1-2H3;1H.
What are the key properties of 5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide has a molecular weight of 274.17 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide is sourced from PubChem (CID 162322218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).