5-Methyl-1H-indazole

C₈H₈N₂CAS 1776-37-0132.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈N₂
Molar mass: 132.17 g/mol
Exact mass: 132.0687 Da
logP: 1.87Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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

1776-37-0

SMILES

CC1=CC2=C(C=C1)NN=C2

InChIKey

DCUNRLLJHAWKRZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2/c1-6-2-3-8-7(4-6)5-9-10-8/h2-5H,1H3,(H,9,10)

Weigh it out

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

Work with 5-Methyl-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-ol15579-15-455 % similar 1H-Indazol-5-amine19335-11-655 % similar 5-Fluoro-1H-indazole348-26-555 % similar 5-Bromo-1H-indazole53857-57-155 % similar 5-Iodo-1H-indazole55919-82-955 % similar 5-Chloro-1H-indazole698-26-055 % similar 1H-Indazole-5-boronic acid338454-14-152 % similar 1H-Indazole-5-carboxaldehyde253801-04-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Cyanobenzylamine10406-25-4 1-Methylbenzimidazole1632-83-3 2-Methyl-7-azaindole23612-48-8 2-Amino-4-methylbenzonitrile26830-96-6 2-Aminobenzeneacetonitrile2973-50-4 2-(Phenylamino)acetonitrile3009-97-0 3-Methyl-1H-indazole3176-62-3 4-Aminobenzeneacetonitrile3544-25-0

Elsewhere

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