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

C12H15N7OS — CID 80609732

IUPAC1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCNc1nnc(Cn2cnc3c(cnn3C)c2=O)s1
InChIInChI=1S/C12H15N7OS/c1-3-4-13-12-17-16-9(21-12)6-19-7-14-10-8(11(19)20)5-15-18(10)2/h5,7H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyOSTRQOMFYBOAGM-UHFFFAOYSA-N
MW305.37 g/mol
LogP0.85
Rot. Bonds5

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

1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 80609732) has the molecular formula C12H15N7OS and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID80609732
Molecular FormulaC12H15N7OS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCNc1nnc(Cn2cnc3c(cnn3C)c2=O)s1
InChIInChI=1S/C12H15N7OS/c1-3-4-13-12-17-16-9(21-12)6-19-7-14-10-8(11(19)20)5-15-18(10)2/h5,7H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyOSTRQOMFYBOAGM-UHFFFAOYSA-N
XLogP0.85
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 80609732) is 1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is CCCNc1nnc(Cn2cnc3c(cnn3C)c2=O)s1.
What is the InChIKey of 1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OSTRQOMFYBOAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7OS/c1-3-4-13-12-17-16-9(21-12)6-19-7-14-10-8(11(19)20)5-15-18(10)2/h5,7H,3-4,6H2,1-2H3,(H,13,17).
What are the key properties of 1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 305.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 80609732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).