3,5-Diamino-1,2,4-triazole

C₂H₅N₅CAS 1455-77-299.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₅N₅
Molar mass: 99.10 g/mol
Exact mass: 99.0545 Da
Melting point: 205 °C (decomposes)
Water solubility: soluble
logP: -1.37Crippen estimate
Polar surface area: 95.1 Å²
H-bond donors / acceptors: 5 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.4% of notifiers
H302 Harmful if swallowed67.8% of notifiers
H312 Harmful in contact with skin18.7% of notifiers
H315 Causes skin irritation18.7% of notifiers
H319 Causes serious eye irritation18.7% of notifiers
H332 Harmful if inhaled18.7% of notifiers

Aggregated from 171 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, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

1455-77-2

SMILES

N=c1[nH][nH]c(=N)[nH]1

InChIKey

PKWIYNIDEDLDCJ-UHFFFAOYSA-N

InChI

InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)

Weigh it out

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

Names and synonyms

8 names

1H-1,2,4-Triazole-3,5-diamine
Guanazole
3,5-Diamino-s-triazole
NSC 1895
3,5-Diamino-1H-1,2,4-triazole
NSC 166592
NSC 167391
NSC 167392

Work with 3,5-Diamino-1,2,4-triazole

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3,5-Diamino-1,2,4-triazole503-88-8

Similar compounds

Melamine108-78-167 % similar 1,3,5-Triazine-2,4,6-triamine, hydrobromide (1:?)29305-12-253 % similar Melamine resin9003-08-144 % similar Melamine cyanurate37640-57-640 % similar Melamine phosphate20208-95-138 % similar 2-Aminoimidazole7720-39-035 % similar 2-Aminobenzimidazole934-32-735 % similar 2-Amino-1H-imidazole-4,5-dicarbonitrile40953-34-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-1H-tetrazol-5-amine5422-44-6 2-Methyl-2H-tetrazol-5-amine6154-04-7

Elsewhere

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