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

Technical Data

Safety and Hazards

Computed Properties

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

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Related Functional Groups

Halides

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride

Pyrroles

[78540-03-1]
1-phenyl-1H-pyrrole-2-carboxylic acid
[433267-55-1]
Ethyl 4-bromopyrrole-2-carboxylate
[1175521-35-3]
Farinomalein
[1290536-79-6]
1,1-Dimethylethyl N-[(5S,8S,10aR)-8-[[(diphenylmethyl)amino]carbonyl]decahydro-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo[1,2-a][1,5]diazocin-5-yl]carbamate
[17106-15-9]
5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
[2051-97-0]
N-Benzylpyrrole

Triazines

[1011371-03-1]
Ethyl (4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl)acetate
[79551-14-7]
Ferene Disodium Salt
[30360-19-1]
N,N'-Diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine
[26650-79-3]
2-Benzyl-4,6-dichloro-1,3,5-triazine
[90-16-4]
1,2,3-Benzotriazin-4(3H)-one
[21638-99-3]
4-amino-6-(trifluoromethyl)-1H-1,3,5-triazin-2-one

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