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CAS 1770840-43-1 manufacturers and suppliers on PharmaCompass

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CAS 1770840-43-1
Also known as: 1770840-43-1, 4-amino-7-iodopyrrolo[2,1-f][1,2,4]triazine, Mfcd21607515, 4-amino-7-iodopyrrolo(2,1-f)(1,2,4)triazine, Schembl15740086, Amy19201
Molecular Formula
C6H5IN4
Molecular Weight
260.04  g/mol
InChI Key
ZEBGLCLVPCOXIV-UHFFFAOYSA-N

1 2D Structure

CAS 1770840-43-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
2.1.2 InChI
InChI=1S/C6H5IN4/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H,(H2,8,9,10)
2.1.3 InChI Key
ZEBGLCLVPCOXIV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C2C(=NC=NN2C(=C1)I)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1770840-43-1

2. 4-amino-7-iodopyrrolo[2,1-f][1,2,4]triazine

3. Mfcd21607515

4. 4-amino-7-iodopyrrolo(2,1-f)(1,2,4)triazine

5. Schembl15740086

6. Amy19201

7. Bcp31939

8. Zb1792

9. Akos037621629

10. At16851

11. Ac-31300

12. Bs-43269

13. Sy269076

14. Db-114087

15. Cs-0114148

16. I1139

17. 7-iodopyrrole[2,1-f][1,2,4]triazin-4-amine

18. A935572

2.3 Create Date
2015-02-13
3 Chemical and Physical Properties
Molecular Weight 260.04 g/mol
Molecular Formula C6H5IN4
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass259.95589 g/mol
Monoisotopic Mass259.95589 g/mol
Topological Polar Surface Area56.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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