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

C10H18BrN5 — CID 162314287

IUPAC2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
SMILESBr.CC1CC=C(c2nnn(C(C)C)n2)CN1
InChIInChI=1S/C10H17N5.BrH/c1-7(2)15-13-10(12-14-15)9-5-4-8(3)11-6-9;/h5,7-8,11H,4,6H2,1-3H3;1H
InChIKeyAVHJGTBAMGIDND-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.60
Rot. Bonds2

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

2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide (PubChem CID 162314287) has the molecular formula C10H18BrN5 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide.

Molecular Properties

Compound Name2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
PubChem CID162314287
Molecular FormulaC10H18BrN5
Molecular Weight288.19 g/mol
Exact Mass287.07
IUPAC Name2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
SMILESBr.CC1CC=C(c2nnn(C(C)C)n2)CN1
InChIInChI=1S/C10H17N5.BrH/c1-7(2)15-13-10(12-14-15)9-5-4-8(3)11-6-9;/h5,7-8,11H,4,6H2,1-3H3;1H
InChIKeyAVHJGTBAMGIDND-UHFFFAOYSA-N
XLogP1.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The IUPAC name of 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide (CID 162314287) is 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide.
What is the SMILES notation for 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The canonical SMILES for 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide is Br.CC1CC=C(c2nnn(C(C)C)n2)CN1.
What is the InChIKey of 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
The InChIKey is AVHJGTBAMGIDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5.BrH/c1-7(2)15-13-10(12-14-15)9-5-4-8(3)11-6-9;/h5,7-8,11H,4,6H2,1-3H3;1H.
What are the key properties of 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide?
2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide has a molecular weight of 288.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide is sourced from PubChem (CID 162314287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).