2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C10H12IN5O2 — CID 175750576

IUPAC2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESNc1nn2c(C3CCOCC3)nc(I)c2c(=O)[nH]1
InChIInChI=1S/C10H12IN5O2/c11-7-6-9(17)14-10(12)15-16(6)8(13-7)5-1-3-18-4-2-5/h5H,1-4H2,(H3,12,14,15,17)
InChIKeyFQXDVSOJNPYCIZ-UHFFFAOYSA-N
MW361.14 g/mol
LogP0.50
Rot. Bonds1

About 2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one

2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 175750576) has the molecular formula C10H12IN5O2 and a molecular weight of 361.14 g/mol. Its IUPAC name is 2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID175750576
Molecular FormulaC10H12IN5O2
Molecular Weight361.14 g/mol
Exact Mass361.00
IUPAC Name2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESNc1nn2c(C3CCOCC3)nc(I)c2c(=O)[nH]1
InChIInChI=1S/C10H12IN5O2/c11-7-6-9(17)14-10(12)15-16(6)8(13-7)5-1-3-18-4-2-5/h5H,1-4H2,(H3,12,14,15,17)
InChIKeyFQXDVSOJNPYCIZ-UHFFFAOYSA-N
XLogP0.50
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.14
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 163207715
4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine
CID 114354824
6-methyl-1-(oxan-4-yl)-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 178026648
2-cyclopentyl-3-methyl-5-(oxan-4-yl)imidazol-4-amine
CID 62385208
7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one
CID 166373770
2-amino-7-[(1S,2S,5R,6S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]-1H-purin-6-one
CID 135547058
2-cyclohexyl-4-(oxan-4-yl)imidazole-1,5-diamine
CID 62506285
2-(1,4-dimethylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136621767
3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
CID 122652231
2-amino-9-(3,4-dihydro-2H-pyran-2-ylmethyl)-1H-purin-6-one
CID 136771347
2-(oxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696313

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 175750576) is 2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one is Nc1nn2c(C3CCOCC3)nc(I)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is FQXDVSOJNPYCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5O2/c11-7-6-9(17)14-10(12)15-16(6)8(13-7)5-1-3-18-4-2-5/h5H,1-4H2,(H3,12,14,15,17).
What are the key properties of 2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 361.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 175750576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).