Basic information
- CAS
1250823-11-0- Standard SMILES
Nc1n[nH]c(C2CCNCC2)n1- InChIKey
CZJWKONMXKVEBV-UHFFFAOYSA-N- Molecular formula
- C7H13N5
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.11709544
Names & identifiers
- Preferred name
- 3-(piperidin-4-yl)-1H-1,2,4-triazol-5-amine
- IUPAC
- 5-piperidin-4-yl-1H-1,2,4-triazol-3-amine
Names & synonyms
3-(piperidin-4-yl)-1H-1,2,4-triazol-5-amine1250823-11-0RefChem:495891982-867-35-piperidin-4-yl-1H-1,2,4-triazol-3-amine4H-1,2,4-triazol-3-amine, 5-(4-piperidinyl)-, dihydrochlorideALBB-022854AKOS010574578AKOS015998033CS-02392765-(4-piperidyl)-1H-1,2,4-triazol-3-amineEN300-208794
Show more names
Z802902282
Database identifiers
- CAS
1250823-11-0- PubChem CID
- 61320156
- EC Number
- 982-867-3
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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