3-Amino-5-nitroindazole

C₇H₆N₄O₂CAS 41339-17-7178.15 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₇H₆N₄O₂
Molar mass: 178.15 g/mol
Exact mass: 178.0491 Da
logP: 1.05Crippen estimate
Polar surface area: 97.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

41339-17-7

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=NN2)N

InChIKey

SWZRTDLKPZAFDT-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N4O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H3,8,9,10)

Weigh it out

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

Work with 3-Amino-5-nitroindazole

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

3-Iodo-5-nitro-1H-indazole70315-69-465 % similar 5-Nitroindazole-3-carboxylic acid78155-76-758 % similar 3-Amino-5-nitrobenzoisothiazole84987-89-353 % similar 3-Methyl-5-nitro-1H-indazole40621-84-950 % similar 5-Nitroindazole5401-94-550 % similar 5-Bromo-1H-indazol-3-amine61272-71-750 % similar 3-Bromo-5-nitro-1H-indazole67400-25-350 % similar 3-Amino-5-nitro-2,1-benzisothiazole14346-19-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tirapazamine27314-97-2 2-Amino-5-nitrobenzimidazole6232-92-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook