Basic information
- CAS
7144-22-1- Standard SMILES
Nc1nc(N)n2c(N)nnc2n1- InChIKey
KMZCSSCUBKHIJS-UHFFFAOYSA-N- Molecular formula
- C4H6N8
- Average molar mass
- 166.15 g/mol
- Monoisotopic mass
- 166.07154219
Names & identifiers
- Preferred name
- 1,2,4-Triazolo[4,3-a][1,3,5]triazine-3,5,7-triamine
- IUPAC
- [1,2,4]triazolo[4,3-a][1,3,5]triazine-3,5,7-triamine
- English name
- 3,5,7-TRIAMINO-1,2,4-TRIAZOLO[4,3-A]-1,3,5-TRIAZINE
- Molecular formula
- C4H6N8
- Molecular weight
- 166.14
Names & synonyms
7144-22-11,2,4-Triazolo[4,3-a][1,3,5]triazine-3,5,7-triamine3,5,7-Triamino-1,2,4-triazolo[4,3-a]-1,3,5-triazineR3AQP82JZBNSC-81561,2,4-Triazolo(4,3-a)(1,3,5)triazine-3,5,7-triamineNSC-73583DTXSID802216303,5,7-triamino-s-triazolo(4,3-a)-s-triazine3,5,7-Triamino-S-triazolo-[4,3-a]-S-triazine3,5,7-Triamino-S-triazolo-(4,3-.alpha.)-S-triazine1,2,4-TRIAZOLO(4,3-A)1,3,5-TRIAZINE-3,5,7-TRIAMINE
Show more names
3,5,7-TRIAMINO-1,2,4-TRIAZOLO[4,3-A]-1,3,5-TRIAZINE 98%1,2-Dihydro-[1,2,4]triazolo[4,3-a][1,3,5]triazine-3,5,7(6h)-triimine
3,5,7-Triamino-S-triazolo-(4,3-a)-S-triazine1,2,4-triazolo[4,3-a]1,3,5-triazine-3,5,7-triamine3,5,7-Triamino-1,2,4-triazolo(4,3-a)-1,3,5-triazineRefChem:71538DTXCID101441213,5,7-Triamino-S-triazolo-(4,3-alpha)-S-triazineKMZCSSCUBKHIJS-UHFFFAOYSA-N[1,2,4]triazolo[4,3-a][1,3,5]triazine-3,5,7-triamine
Database identifiers
- CAS
7144-22-1- PubChem CID
- 81563
- DTXSID
DTXSID80221630- UNII
- R3AQP82JZB
- EC Number
- 230-448-4
- Nikkaji
- J227.393D
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 360 °C · >360 °C(lit.)
- Density
- 2.77 · 2.77±0.1 g/cm3(Predicted)
- pka
- 2.41 · 2.41±0.30(Predicted)
- FDA UNII
- 3 AQP82JZB · R3AQP82JZB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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