3-(2H-Tetrazol-5-yl)pyridine

C6H5N5CAS 3250-74-6147.14 g/mol

Open in Covalent MOL file
NNNHNN

Properties

Molecular formula
C6H5N5
Molar mass
147.14 g/mol
Exact mass
147.0545 Da
Melting point
136–137 °C
logP
0.26Crippen estimate
Polar surface area
67.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI, index 613-241-00-7), via PubChem.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number
3250-74-6
SMILES
c1cncc(-c2nn[nH]n2)c1
InChIKey
SECHDFHDDVELCV-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N5/c1-2-5(4-7-3-1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Pyridine, 3-(2H-tetrazol-5-yl)-
  • Pyridine, 3-(1H-tetrazol-5-yl)-
  • Pyridine, 3-(tetrazol-5-yl)-
  • 5-(3-Pyridyl)tetrazole
  • 5-β-Pyridyltetrazole
  • Lu 31-102
  • 5-(3-Pyridyl)-1H-tetrazole
  • 3-(1H-Tetrazol-5-yl)pyridine
  • 5-(3-Pyridinyl)-1H-tetrazole
  • 5-(Pyridin-3-yl)tetrazole
  • 5-(3′-Pyridinyl)-1H-tetrazole

Work with 3-(2H-Tetrazol-5-yl)pyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Phenyltetrazole18039-42-462 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-457 % similar 5-(3-Fluorophenyl)-2H-1,2,3,4-tetrazole50907-20-551 % similar Pyridine, 3-(1H-1,2,3-triazol-4-yl)- (9ci)120241-79-450 % similar 5-(5-Bromo-3-pyridyl)-1H-tetrazole211943-13-450 % similar 5-(3-Bromophenyl)-1H-1,2,3,4-tetrazole3440-99-150 % similar 5-(3-Aminophenyl)tetrazole73732-51-150 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1H-1,2,4-Triazol-5-yl)pyrazine130612-31-6 5-(4-Pyridyl)-1H-tetrazole14389-12-9 5-Amino-4-cyano-1H-pyrazole-3-acetonitrile54711-21-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook