3-Amino-1,2,4-triazine

C₃H₄N₄CAS 1120-99-696.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₄N₄
Molar mass: 96.09 g/mol
Exact mass: 96.0436 Da
Melting point: 171.5–172.5 °C
logP: -0.72Crippen estimate
Polar surface area: 65.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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

1120-99-6

SMILES

N=c1nncc[nH]1

InChIKey

MJIWQHRXSLOUJN-UHFFFAOYSA-N

InChI

InChI=1S/C3H4N4/c4-3-5-1-2-6-7-3/h1-2H,(H2,4,5,7)

Weigh it out

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

Names and synonyms

5 names

1,2,4-Triazin-3-amine
As-Triazine, 3-amino-
NSC 203233
3-Amino-as-triazine
[1,2,4]Triazin-3-ylamine

Work with 3-Amino-1,2,4-triazine

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

2-Aminopyrimidine109-12-646 % similar 6-Bromo-1,2,4-triazin-3-amine69249-22-538 % similar 2-Amino-4-methylpyrimidine108-52-137 % similar Isocytosine108-53-237 % similar 4-Methoxy-2-pyrimidinamine155-90-833 % similar 2,2'-Biimidazole492-98-832 % similar 1,3,5-Triazine-2,4-diamine504-08-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3,5-Triazin-2-amine4122-04-7

Elsewhere

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