Basic information
- CAS
128773-84-2- Standard SMILES
OCc1nnn2c1CCC2- InChIKey
JHVHBOSLWJNDIQ-UHFFFAOYSA-N- Molecular formula
- C6H9N3O
- Average molar mass
- 139.16 g/mol
- Monoisotopic mass
- 139.07456192
Names & identifiers
- Preferred name
- (4H,5H,6H-pyrrolo(1,2-c)(1,2,3)triazol-3-yl)methanol
- IUPAC
- 5,6-dihydro-4H-pyrrolo[1,2-c]triazol-3-ylmethanol
Names & synonyms
128773-84-2{4H,5H,6H-pyrrolo[1,2-c][1,2,3]triazol-3-yl}methanol(4H,5H,6H-PYRROLO[1,2-C][1,2,3]TRIAZOL-3-YL)METHANOL(4H,5H,6H-pyrrolo(1,2-c)(1,2,3)triazol-3-yl)methanolRefChem:403212993-353-3NSC623587CHEMBL1970887MFCD19690792AKOS040802240AT24855NSC-623587
Show more names
NCI60_006983DB-397721EN300-7646592(5,6-Dihydro-4H-pyrrolo[1,2-c][1,2,3]triaZol-3-yl)methanol5,6-DIHYDRO-4H-PYRROLO[1,2-C][1,2,3]TRIAZOLE-3-METHANOL
Database identifiers
- CAS
128773-84-2- PubChem CID
- 360881
- ChEMBL
CHEMBL1970887- EC Number
- 993-353-3
- Nikkaji
- J282.376D
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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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