5-(Aminomethyl)-1H-indazole

C₈H₉N₃CAS 267413-25-2147.18 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₈H₉N₃
Molar mass: 147.18 g/mol
Exact mass: 147.0796 Da
logP: 1.02Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

267413-25-2

SMILES

C1=CC2=C(C=C1CN)C=NN2

InChIKey

AQMGFFLBKVOJLW-UHFFFAOYSA-N

InChI

InChI=1S/C8H9N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,4,9H2,(H,10,11)

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Names and synonyms

1 names

5-Aminomethyl indazole

Work with 5-(Aminomethyl)-1H-indazole

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

(1H-Indazol-5-yl)methanol478828-52-364 % similar 1H-Indazol-5-amine19335-11-655 % similar 1H-Indole-5-methanamine81881-74-553 % similar 1H-Indazol-5-ol15579-15-450 % similar 5-Methyl-1H-indazole1776-37-050 % similar 5-Fluoro-1H-indazole348-26-550 % similar 5-Bromo-1H-indazole53857-57-150 % similar 5-Iodo-1H-indazole55919-82-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-1H-benzimidazol-2-amine1622-57-7 1-Methyl-1H-benzimidazol-6-amine26530-93-8 5,6-Dimethyl-1H-benzotriazole4184-79-6 1-Methyl-1H-indazol-5-amine50593-24-3 (2H-Indazol-6-yl)methanamine710943-26-3 1-Methyl-1H-indazol-6-amine74728-65-7 3-Methyl-1H-indazol-6-ylamine79173-62-9 3-Methyl-1H-indazol-5-amine90764-90-2

Elsewhere

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