Basic information
- CAS
161793-04-0- Standard SMILES
Nc1n[nH]c(-c2ccoc2)n1- InChIKey
IEQIGPAJUVBSDC-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416083
Names & identifiers
- Preferred name
- 5-(furan-3-yl)-4H-1,2,4-triazol-3-amine
- IUPAC
- 5-(furan-3-yl)-1H-1,2,4-triazol-3-amine
- English name
- 1H-1,2,4-Triazol-3-amine,5-(3-furanyl)-(9CI)
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.14
Names & synonyms
161793-04-05-(furan-3-yl)-4H-1,2,4-triazol-3-amineRefChem:531270959-948-73-(Furan-3-yl)-1H-1,2,4-triazol-5-amine1H-1,2,4-Triazol-3-amine,5-(3-furanyl)-(9CI)5-(FURAN-3-YL)-1H-1,2,4-TRIAZOL-3-AMINE5-Amino-3-(3-furyl)-1H-1,2,4-triazoleMFCD18807014AKOS000163298SY179838CS-0250630
Show more names
1H-1,2,4-Triazol-5-amine, 3-(3-furanyl)-
EN300-51682G44444Z285158954
Database identifiers
- CAS
161793-04-0- PubChem CID
- 20121277
- EC Number
- 959-948-7
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 416.3 · 416.3±47.0 °C(Predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- pka
- 10.38 · 10.38±0.40(Predicted)
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%)
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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