3,5-Bis-methoxymethyl-1,2,4-triazol-4-ylamine

C₆H₁₂N₄O₂CAS 111853-51-1172.19 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₆H₁₂N₄O₂
Molar mass: 172.19 g/mol
Exact mass: 172.0960 Da
logP: -0.72Crippen estimate
Polar surface area: 75.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% 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

111853-51-1

SMILES

COCC1=NN=C(N1N)COC

InChIKey

QMTIGFLCQANSAT-UHFFFAOYSA-N

InChI

InChI=1S/C6H12N4O2/c1-11-3-5-8-9-6(4-12-2)10(5)7/h3-4,7H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

3,5-Bis(methoxymethyl)-4H-1,2,4-triazol-4-amine

Work with 3,5-Bis-methoxymethyl-1,2,4-triazol-4-ylamine

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

4-Amino-3,5-dimethyl-1,2,4-triazole3530-15-233 % similar Methoxymethylpyrazine63450-30-633 % similar 1,4-Bis(methoxymethyl)benzene6770-38-333 % similar 4,4′-Bis(methoxymethyl)-1,1′-biphenyl3753-18-230 % similar Benzyl methyl ether538-86-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetramethylazodicarboxamide10465-78-8

Elsewhere

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