N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine
Basic information
- CAS
35554-74-6- Standard SMILES
C(=Nn1cnnc1)c1c[nH]c2ccccc12- InChIKey
XBDRNNWKGLPRIX-UHFFFAOYSA-N- Molecular formula
- C11H9N5
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.08579531
Names & identifiers
- Preferred name
- N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine
- IUPAC
- 1-(1H-indol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
Names & synonyms
N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amineRefChem:35999935554-74-61-(1H-indol-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimineOprea1_182324Oprea1_263501CBDivE_000190DTXSID601223809AKOS030746735
Database identifiers
- CAS
35554-74-6- PubChem CID
- 690739
- DTXSID
DTXSID601223809- EC Number
- 664-442-1
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
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
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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