5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C11H12N6OS — CID 136529837

IUPAC5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nnc(Cn2cnc3c(cnn3C)c2=O)s1
InChIInChI=1S/C11H12N6OS/c1-3-8-14-15-9(19-8)5-17-6-12-10-7(11(17)18)4-13-16(10)2/h4,6H,3,5H2,1-2H3
InChIKeyNXELHVRPKWYCRP-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.59
Rot. Bonds3

About 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136529837) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136529837
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nnc(Cn2cnc3c(cnn3C)c2=O)s1
InChIInChI=1S/C11H12N6OS/c1-3-8-14-15-9(19-8)5-17-6-12-10-7(11(17)18)4-13-16(10)2/h4,6H,3,5H2,1-2H3
InChIKeyNXELHVRPKWYCRP-UHFFFAOYSA-N
XLogP0.59
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[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

1,1'-(1,3-propanediyl)bis(5-ethyl-6-methylthio-4,5-dihydro-1H-pyrazolo(3,4-d)pyrimidin-4-one)
CID 90696150
6,7-Dihydro-2-methylpyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(2H)-one
CID 610342
1,5,6-Trimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 335483
3-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16882088
6,7-Dihydro-1-methylpyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(1H)-one
CID 10198195
1-Methyl-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-one
CID 136559370
6-(2,2,2-Trifluoroethyl)-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 15337427
1,6-Dimethyl-5-propyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 335484
6-Ethyl-1,5-dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 337071
6-Ethyl-1-methyl-5-propylpyrazolo[3,4-d]pyrimidin-4-one
CID 337104
1,3-bis(5-methyl-6-methylthio-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane
CID 15399249
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 38783417

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 136529837) is 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is CCc1nnc(Cn2cnc3c(cnn3C)c2=O)s1.
What is the InChIKey of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NXELHVRPKWYCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-3-8-14-15-9(19-8)5-17-6-12-10-7(11(17)18)4-13-16(10)2/h4,6H,3,5H2,1-2H3.
What are the key properties of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 276.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136529837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).