7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine

C12H17I2N5O2 — CID 143469548

IUPAC7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOI(O)C1CCC(c2nc(I)c3c(N)ncnn23)CC1
InChIInChI=1S/C12H17I2N5O2/c1-21-14(20)8-4-2-7(3-5-8)12-18-10(13)9-11(15)16-6-17-19(9)12/h6-8,20H,2-5H2,1H3,(H2,15,16,17)
InChIKeyRHZUXBYPMQFXMH-UHFFFAOYSA-N
MW517.11 g/mol
LogP2.31
Rot. Bonds3

About 7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine

7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 143469548) has the molecular formula C12H17I2N5O2 and a molecular weight of 517.11 g/mol. Its IUPAC name is 7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID143469548
Molecular FormulaC12H17I2N5O2
Molecular Weight517.11 g/mol
Exact Mass516.95
IUPAC Name7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOI(O)C1CCC(c2nc(I)c3c(N)ncnn23)CC1
InChIInChI=1S/C12H17I2N5O2/c1-21-14(20)8-4-2-7(3-5-8)12-18-10(13)9-11(15)16-6-17-19(9)12/h6-8,20H,2-5H2,1H3,(H2,15,16,17)
InChIKeyRHZUXBYPMQFXMH-UHFFFAOYSA-N
XLogP2.31
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.11
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 137032824
4-[4-amino-5-(4-methoxy-2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 73294744
7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 135802779
[4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide
CID 145011049
4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
CID 66738299
4-[4-amino-5-(6-chloro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide
CID 66677029
4-[2-(2-aminoethoxy)ethoxy]-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one
CID 147893863
[3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol
CID 11640272
7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90176299
7-(3-aminocyclopentyl)-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 11711067
carbamoyl 4-[4-amino-5-(2-phenoxyquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 90731949
3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide
CID 11640783

Frequently Asked Questions

What is the IUPAC name of 7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine (CID 143469548) is 7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine is COI(O)C1CCC(c2nc(I)c3c(N)ncnn23)CC1.
What is the InChIKey of 7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is RHZUXBYPMQFXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17I2N5O2/c1-21-14(20)8-4-2-7(3-5-8)12-18-10(13)9-11(15)16-6-17-19(9)12/h6-8,20H,2-5H2,1H3,(H2,15,16,17).
What are the key properties of 7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine?
7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 517.11 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 143469548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).