5-(3-Aminophenyl)tetrazole

C7H7N5CAS 73732-51-1161.17 g/mol

Open in Covalent MOL file
H2NNNNHN
Primary amine

Properties

Molecular formula
C7H7N5
Molar mass
161.17 g/mol
Exact mass
161.0701 Da
Melting point
199–200 °C
logP
0.45Crippen estimate
Polar surface area
80.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
73732-51-1
SMILES
Nc1cccc(-c2nn[nH]n2)c1
InChIKey
FLGISLVJQPPAMV-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N5/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)

Weigh it out

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

Names and synonyms

10 names
  • Aniline, 3-(1H-tetrazol-5-yl)-
  • Benzenamine, 3-(2H-tetrazol-5-yl)-
  • Benzenamine, 3-(1H-tetrazol-5-yl)-
  • Tetrazole, 5-(m-aminophenyl)-
  • 3-(2H-Tetrazol-5-yl)benzenamine
  • 5-(m-Aminophenyl)tetrazole
  • 3-(1H-Tetrazol-5-yl)aniline
  • NSC 338110
  • 3-(Tetrazol-5-yl)aniline
  • 3-(1H-Tetrazol-5-yl)phenylamine

Work with 5-(3-Aminophenyl)tetrazole

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-(3-Fluorophenyl)-2H-1,2,3,4-tetrazole50907-20-562 % similar 5-(3-Bromophenyl)-1H-1,2,3,4-tetrazole3440-99-160 % similar 5-Phenyltetrazole18039-42-458 % similar 5-[3-(Trifluoromethyl)phenyl]-1H-tetrazole92712-48-655 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-453 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-650 % similar 5-(2,6-Dichlorophenyl)-1H-tetrazole50907-31-849 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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