2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C10H12IN5O — CID 166519056

IUPAC2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESNc1nn2c(C3CCCC3)nc(I)c2c(=O)[nH]1
InChIInChI=1S/C10H12IN5O/c11-7-6-9(17)14-10(12)15-16(6)8(13-7)5-3-1-2-4-5/h5H,1-4H2,(H3,12,14,15,17)
InChIKeyXNVLLIVEKFWFMK-UHFFFAOYSA-N
MW345.14 g/mol
LogP1.26
Rot. Bonds1

About 2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one

2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 166519056) has the molecular formula C10H12IN5O and a molecular weight of 345.14 g/mol. Its IUPAC name is 2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID166519056
Molecular FormulaC10H12IN5O
Molecular Weight345.14 g/mol
Exact Mass345.01
IUPAC Name2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESNc1nn2c(C3CCCC3)nc(I)c2c(=O)[nH]1
InChIInChI=1S/C10H12IN5O/c11-7-6-9(17)14-10(12)15-16(6)8(13-7)5-3-1-2-4-5/h5H,1-4H2,(H3,12,14,15,17)
InChIKeyXNVLLIVEKFWFMK-UHFFFAOYSA-N
XLogP1.26
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.14
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one with MolForge

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Related Compounds

2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 175750576
7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 163207715
2-(4-bromophenyl)-7-cyclopentyl-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752606
7-cyclopentyl-5-ethyl-2-isoquinolin-1-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135788021
7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135787964
7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135788028
2-(3-bromothiophen-2-yl)-7-cyclopentyl-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135787962
2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
CID 136824656
benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 135752579
2-amino-7-[9-oxo-9-(2-oxocyclohexyl)nonyl]-1H-purin-6-one
CID 137176217
2-amino-7-[7-oxo-7-(2-oxocyclohexyl)heptyl]-1H-purin-6-one
CID 137211616
benzyl (3R)-3-(2-amino-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 136632560

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 166519056) is 2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one is Nc1nn2c(C3CCCC3)nc(I)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is XNVLLIVEKFWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5O/c11-7-6-9(17)14-10(12)15-16(6)8(13-7)5-3-1-2-4-5/h5H,1-4H2,(H3,12,14,15,17).
What are the key properties of 2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 345.14 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 166519056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).