5-iodo-3H-imidazo[4,5-d]triazin-4-one

C4H2IN5O — CID 163286898

IUPAC5-iodo-3H-imidazo[4,5-d]triazin-4-one
SMILESO=c1[nH]nnc2ncn(I)c12
InChIInChI=1S/C4H2IN5O/c5-10-1-6-3-2(10)4(11)8-9-7-3/h1H,(H,7,8,11)
InChIKeyJOEZCFVQYULSGM-UHFFFAOYSA-N
MW263.00 g/mol
LogP-0.29
Rot. Bonds

About 5-iodo-3H-imidazo[4,5-d]triazin-4-one

5-iodo-3H-imidazo[4,5-d]triazin-4-one (PubChem CID 163286898) has the molecular formula C4H2IN5O and a molecular weight of 263.00 g/mol. Its IUPAC name is 5-iodo-3H-imidazo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name5-iodo-3H-imidazo[4,5-d]triazin-4-one
PubChem CID163286898
Molecular FormulaC4H2IN5O
Molecular Weight263.00 g/mol
Exact Mass262.93
IUPAC Name5-iodo-3H-imidazo[4,5-d]triazin-4-one
SMILESO=c1[nH]nnc2ncn(I)c12
InChIInChI=1S/C4H2IN5O/c5-10-1-6-3-2(10)4(11)8-9-7-3/h1H,(H,7,8,11)
InChIKeyJOEZCFVQYULSGM-UHFFFAOYSA-N
XLogP-0.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.00
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 175230449
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CID 143864919
2-chloro-7-hydroxy-1H-purin-6-one
CID 137226096
2-amino-7-hydroxy-1H-purin-6-one;hydrobromide
CID 135666783
7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one
CID 167283718
2-amino-7-propan-2-yl-1H-purin-6-one
CID 135618536
6-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrazolo[3,4-d]triazin-4-one
CID 135459498
5-iodo-1H-triazin-6-one
CID 19597707
6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one
CID 135415827
3H-[1,2]oxazolo[4,3-d]triazin-4-one
CID 141311007
4-oxo-3H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
CID 137244865
1,7-dihydropurin-6-one
CID 135546991

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3H-imidazo[4,5-d]triazin-4-one?
The IUPAC name of 5-iodo-3H-imidazo[4,5-d]triazin-4-one (CID 163286898) is 5-iodo-3H-imidazo[4,5-d]triazin-4-one.
What is the SMILES notation for 5-iodo-3H-imidazo[4,5-d]triazin-4-one?
The canonical SMILES for 5-iodo-3H-imidazo[4,5-d]triazin-4-one is O=c1[nH]nnc2ncn(I)c12.
What is the InChIKey of 5-iodo-3H-imidazo[4,5-d]triazin-4-one?
The InChIKey is JOEZCFVQYULSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2IN5O/c5-10-1-6-3-2(10)4(11)8-9-7-3/h1H,(H,7,8,11).
What are the key properties of 5-iodo-3H-imidazo[4,5-d]triazin-4-one?
5-iodo-3H-imidazo[4,5-d]triazin-4-one has a molecular weight of 263.00 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3H-imidazo[4,5-d]triazin-4-one is sourced from PubChem (CID 163286898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).