2-(chloromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine - CAS 1495062-99-1
Catalog: |
BB010415 |
Product Name: |
2-(chloromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine |
CAS: |
1495062-99-1 |
Synonyms: |
2-(chloromethyl)-4-pyrrolo[2,1-f][1,2,4]triazinamine; 2-(chloromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine |
IUPAC Name: | 2-(chloromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine |
Description: | 2-(chloromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CAS# 1495062-99-1 ) is a useful research chemical. |
Molecular Weight: | 182.611 |
Molecular Formula: | C7H7ClN4 |
Canonical SMILES: | C1=CN2C(=C1)C(=NC(=N2)CCl)N |
InChI: | InChI=1S/C7H7ClN4/c8-4-6-10-7(9)5-2-1-3-12(5)11-6/h1-3H,4H2,(H2,9,10,11) |
InChI Key: | BRLAKSPBRIFARA-UHFFFAOYSA-N |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0359239 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0359239 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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