N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide

C8H9N5O2S — CID 135472838

IUPACN-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCNC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C8H9N5O2S/c1-9-5(14)3-16-8-11-6-4(2-10-13-6)7(15)12-8/h2H,3H2,1H3,(H,9,14)(H2,10,11,12,13,15)
InChIKeyBFAYEUSEYAHMHD-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.52
Rot. Bonds3

About N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide

N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 135472838) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID135472838
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC NameN-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCNC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C8H9N5O2S/c1-9-5(14)3-16-8-11-6-4(2-10-13-6)7(15)12-8/h2H,3H2,1H3,(H,9,14)(H2,10,11,12,13,15)
InChIKeyBFAYEUSEYAHMHD-UHFFFAOYSA-N
XLogP-0.52
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide 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

Allopurinol
CID 135401907
Allopurinol (monosodium salt)
CID 135534565
6-(propylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517169
6-(allylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135472830
6-(isopentylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135472839
6-Ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135517158
6-(2-Oxo-2-piperidin-1-ylethyl)sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 135517184
6-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517185
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135541122
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135541135
6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135483440
N-isopropyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135541124

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (CID 135472838) is N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is CNC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is BFAYEUSEYAHMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-9-5(14)3-16-8-11-6-4(2-10-13-6)7(15)12-8/h2H,3H2,1H3,(H,9,14)(H2,10,11,12,13,15).
What are the key properties of N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 239.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 135472838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).