7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine

C6H5IN4 — CID 90176299

IUPAC7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(I)ccc12
InChIInChI=1S/C6H5IN4/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H,(H2,8,9,10)
InChIKeyZEBGLCLVPCOXIV-UHFFFAOYSA-N
MW260.04 g/mol
LogP0.92
Rot. Bonds

About 7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine

7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 90176299) has the molecular formula C6H5IN4 and a molecular weight of 260.04 g/mol. Its IUPAC name is 7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID90176299
Molecular FormulaC6H5IN4
Molecular Weight260.04 g/mol
Exact Mass259.96
IUPAC Name7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(I)ccc12
InChIInChI=1S/C6H5IN4/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H,(H2,8,9,10)
InChIKeyZEBGLCLVPCOXIV-UHFFFAOYSA-N
XLogP0.92
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethane;7-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145368095
4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol
CID 58529282
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 90397339
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol
CID 143458596
acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol
CID 145074462
(2S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 154009986
tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)acetate
CID 166517927
7-(4-methylcyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 131980519
7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143861213
(2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one
CID 121313180
4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxypiperidine-1-carboxylic acid
CID 71134193
(2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 10264872

Frequently Asked Questions

What is the IUPAC name of 7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 90176299) is 7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(I)ccc12.
What is the InChIKey of 7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ZEBGLCLVPCOXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN4/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H,(H2,8,9,10).
What are the key properties of 7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 260.04 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 90176299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).