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

C10H11IN4O — CID 163207715

IUPAC7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]cnn2c(C3CCCC3)nc(I)c12
InChIInChI=1S/C10H11IN4O/c11-8-7-10(16)12-5-13-15(7)9(14-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,16)
InChIKeyJRXCKRWKVZOUAQ-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.68
Rot. Bonds1

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

7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 163207715) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is 7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID163207715
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]cnn2c(C3CCCC3)nc(I)c12
InChIInChI=1S/C10H11IN4O/c11-8-7-10(16)12-5-13-15(7)9(14-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,16)
InChIKeyJRXCKRWKVZOUAQ-UHFFFAOYSA-N
XLogP1.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.68
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

2-amino-7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 166519056
tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane
CID 145487059
2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 175750576
7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136984160
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136971525
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 137010515
7-[4-[hydroxy(methoxy)-λ3-iodanyl]cyclohexyl]-5-iodoimidazo[5,1-f][1,2,4]triazin-4-amine
CID 143469548
7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135884443
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008213
2-(4-bromophenyl)-7-cyclopentyl-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752606
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
2-(chloromethyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729885

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 163207715) is 7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one is O=c1[nH]cnn2c(C3CCCC3)nc(I)c12.
What is the InChIKey of 7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is JRXCKRWKVZOUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c11-8-7-10(16)12-5-13-15(7)9(14-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,16).
What are the key properties of 7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 330.13 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 163207715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).