2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine

C6H9N5 — CID 54092492

IUPAC2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=CCC(c2nn[nH]n2)NC1
InChIInChI=1S/C6H9N5/c1-2-4-7-5(3-1)6-8-10-11-9-6/h1-2,5,7H,3-4H2,(H,8,9,10,11)
InChIKeyMUVAPMZDXZPLBI-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.21
Rot. Bonds1

About 2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine

2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 54092492) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID54092492
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=CCC(c2nn[nH]n2)NC1
InChIInChI=1S/C6H9N5/c1-2-4-7-5(3-1)6-8-10-11-9-6/h1-2,5,7H,3-4H2,(H,8,9,10,11)
InChIKeyMUVAPMZDXZPLBI-UHFFFAOYSA-N
XLogP-0.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine (CID 54092492) is 2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine is C1=CCC(c2nn[nH]n2)NC1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is MUVAPMZDXZPLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-2-4-7-5(3-1)6-8-10-11-9-6/h1-2,5,7H,3-4H2,(H,8,9,10,11).
What are the key properties of 2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 151.17 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 54092492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).