8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one

C7H9N5O — CID 136659280

IUPAC8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one
SMILES[3H]Nc1nc2nc(CC)[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H9N5O/c1-2-3-9-4-5(10-3)11-7(8)12-6(4)13/h2H2,1H3,(H4,8,9,10,11,12,13)/i/hT
InChIKeyNKXLJLHQYAGJLG-MNYXATJNSA-N
MW181.19 g/mol
LogP-0.21
Rot. Bonds2

About 8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one

8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one (PubChem CID 136659280) has the molecular formula C7H9N5O and a molecular weight of 181.19 g/mol. Its IUPAC name is 8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one
PubChem CID136659280
Molecular FormulaC7H9N5O
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one
SMILES[3H]Nc1nc2nc(CC)[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H9N5O/c1-2-3-9-4-5(10-3)11-7(8)12-6(4)13/h2H2,1H3,(H4,8,9,10,11,12,13)/i/hT
InChIKeyNKXLJLHQYAGJLG-MNYXATJNSA-N
XLogP-0.21
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one
CID 136680651
2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one
CID 136952842
2-amino-8-[(5-methylsulfinylthiophen-2-yl)methyl]-1,7-dihydropurin-6-one
CID 135980779
6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
CID 154103518
3,6-diethyl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
CID 137270080
methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate
CID 18693152
6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one
CID 135415827
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide
CID 137225021
2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride
CID 67885903
4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one
CID 143553883
(2-amino-6-oxo-1,7-dihydropurin-8-yl) thiocyanate
CID 135742599
2-amino-8-azido-1,7-dihydropurin-6-one
CID 135406871

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one?
The IUPAC name of 8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one (CID 136659280) is 8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one.
What is the SMILES notation for 8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one?
The canonical SMILES for 8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one is [3H]Nc1nc2nc(CC)[nH]c2c(=O)[nH]1.
What is the InChIKey of 8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one?
The InChIKey is NKXLJLHQYAGJLG-MNYXATJNSA-N. The full InChI is InChI=1S/C7H9N5O/c1-2-3-9-4-5(10-3)11-7(8)12-6(4)13/h2H2,1H3,(H4,8,9,10,11,12,13)/i/hT.
What are the key properties of 8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one?
8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one is sourced from PubChem (CID 136659280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).