4-amino-7-iodopyrrolo(2,1-f)(1,2,4)triazine - CAS 1770840-43-1
Catalog: |
BB042385 |
Product Name: |
4-amino-7-iodopyrrolo(2,1-f)(1,2,4)triazine |
CAS: |
1770840-43-1 |
Synonyms: |
Remdesivir-004; 7-Iodopyrrolo[2,1-f][1,2,4]triazin-4-amine;Pyrrolo[2,1-f][1,2,4]triazin-4-amine, 7-iodo-; Remdesivir Related Compound 2 |
IUPAC Name: | 7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine |
Description: | 4-amino-7-iodopyrrolo(2,1-f)(1,2,4)triazine (CAS# 1770840-43-1 ) is a useful research chemical. |
Molecular Weight: | 260.04 |
Molecular Formula: | C6H5IN4 |
Canonical SMILES: | C1CC(N2C1C(NCN2)N)I |
InChI: | InChI=1S/C6H5IN4/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H,(H2,8,9,10) |
InChI Key: | ZEBGLCLVPCOXIV-UHFFFAOYSA-N |
Density: | 2.4±0.1 g/cm3 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P313, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.95589 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.95589 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 56.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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