6-amino-1,2,4-triazine-3,5(2H,4H)-dione
Basic information
- CAS
18802-38-5- Standard SMILES
Nc1n[nH]c(=O)[nH]c1=O- InChIKey
GFJDLRANNRSMCK-UHFFFAOYSA-N- Molecular formula
- C3H4N4O2
- Average molar mass
- 128.09 g/mol
- Monoisotopic mass
- 128.03342538
Names & identifiers
- Preferred name
- 6-amino-1,2,4-triazine-3,5(2H,4H)-dione
- IUPAC
- 6-amino-2H-1,2,4-triazine-3,5-dione
- English name
- 6-amino-1,2,4-triazine-3,5(2H,4H)-dione
- Molecular formula
- C3H4N4O2
- Molecular weight
- 128.09
Names & synonyms
6-Amino-1,2,4-triazine-3,5(2H,4H)-dione18802-38-5EINECS 242-589-9DTXSID90172144RefChem:104156DTXCID2094635242-589-96-amino-2H-1,2,4-triazine-3,5-dione6-Amino-2H-[1,2,4]triazine-3,5-dioneMFCD013466781,2,4-Triazine-3,5(2H,4H)-dione, 6-amino-6-amino-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
Show more names
6-Amino-1,2,4-triazine-3,5(2H,4H)
5-amino-6-azauracil6-aminotriazin-3,5-dioneGFJDLRANNRSMCK-UHFFFAOYSA-NSBB052041AKOS008136388AC-5062SB73331SY019287
Database identifiers
- CAS
18802-38-5- PubChem CID
- 87801
- DTXSID
DTXSID90172144- EC Number
- 242-589-9
- Nikkaji
- J222.309K
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 310 · 310-315 °C(Solv: water (7732-18-5))
- Density
- 2.22 · 2.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 7.17 · 7.17±0.40(Predicted)
- Appearance
- Light green to green Solid
- InChI
- InChI=1S/C3H4N4O2/c4-1-2(8)5-3(9)7-6-1/h(H2,4,6)(H2,5,7,8,9)
- InChIKey
- GFJDLRANNRSMCK-UHFFFAOYSA-N
- SMILES
- N1=C(N)C(=O)NC(=O)N1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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