6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one

C5H4N4OS — CID 135474990

IUPAC6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c2[nH]ncc12
InChIInChI=1S/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKeySXRSXYWROQWSGJ-UHFFFAOYSA-N
MW168.18 g/mol
LogP0.31
Rot. Bonds

About 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135474990) has the molecular formula C5H4N4OS and a molecular weight of 168.18 g/mol. Its IUPAC name is 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135474990
Molecular FormulaC5H4N4OS
Molecular Weight168.18 g/mol
Exact Mass168.01
IUPAC Name6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c2[nH]ncc12
InChIInChI=1S/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKeySXRSXYWROQWSGJ-UHFFFAOYSA-N
XLogP0.31
TPSA77.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-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

Oxypurinol
CID 135398752
1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-
CID 331886
5-ethyl-7-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 396525
Oxithiopurinol
CID 135443392
5-Ethyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135667593
1H-pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dithione
CID 135523674
thiazolo[4,5-d]pyrimidin-2(3H)-one, 7-amino-3-phenyl-
CID 641946
4-Hydroxy-1-methylpyrazolo[3,4-d]pyrimidin-6-thiol
CID 135436410
5-Hydroxy-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
CID 141845141
5-Amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
CID 137049875
2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 137288293
4,6-Dihydroxypyrazolo[3,4-d]pyrimidine-13C,15N2
CID 136219927

Frequently Asked Questions

What is the IUPAC name of 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135474990) is 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(=S)[nH]c2[nH]ncc12.
What is the InChIKey of 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SXRSXYWROQWSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11).
What are the key properties of 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 168.18 g/mol, XLogP of 0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135474990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).