7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C7H9N5O2S — CID 136865205

IUPAC7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCC[S@@](=O)c1nc2[nH]c(=O)cc(N)n2n1
InChIInChI=1S/C7H9N5O2S/c1-2-15(14)7-10-6-9-5(13)3-4(8)12(6)11-7/h3H,2,8H2,1H3,(H,9,10,11,13)/t15-/m1/s1
InChIKeyULLAGWYLPBLHJP-OAHLLOKOSA-N
MW227.25 g/mol
LogP-0.87
Rot. Bonds2

About 7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136865205) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is 7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136865205
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Name7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCC[S@@](=O)c1nc2[nH]c(=O)cc(N)n2n1
InChIInChI=1S/C7H9N5O2S/c1-2-15(14)7-10-6-9-5(13)3-4(8)12(6)11-7/h3H,2,8H2,1H3,(H,9,10,11,13)/t15-/m1/s1
InChIKeyULLAGWYLPBLHJP-OAHLLOKOSA-N
XLogP-0.87
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-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

7-amino-2-hexyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137167951
2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004097
2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004085
N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135520836
2-ethoxy-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136775611
1-acetyl-6-amino-2-sulfanylidenepyrimidin-4-one
CID 45119596
3-ethylsulfinyl-1,2,4-thiadiazol-5-amine
CID 119095848
4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one
CID 135616216
2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 155811457
7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004252
4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide
CID 136721552
7-amino-4-propyl-1H-1,8-naphthyridin-2-one
CID 14686954

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136865205) is 7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CC[S@@](=O)c1nc2[nH]c(=O)cc(N)n2n1.
What is the InChIKey of 7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is ULLAGWYLPBLHJP-OAHLLOKOSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-2-15(14)7-10-6-9-5(13)3-4(8)12(6)11-7/h3H,2,8H2,1H3,(H,9,10,11,13)/t15-/m1/s1.
What are the key properties of 7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 227.25 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[(R)-ethylsulfinyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136865205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).