4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one

C12H16N4OS — CID 135481143

IUPAC4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
SMILESCc1cc2[nH]c(=O)s/c(=N\C3CCCCC3)n2n1
InChIInChI=1S/C12H16N4OS/c1-8-7-10-14-12(17)18-11(16(10)15-8)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,14,17)/b13-11-
InChIKeyXOZFBXFTKNCESN-QBFSEMIESA-N
MW264.35 g/mol
LogP1.63
Rot. Bonds1

About 4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one

4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one (PubChem CID 135481143) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one.

Molecular Properties

Compound Name4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
PubChem CID135481143
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
SMILESCc1cc2[nH]c(=O)s/c(=N\C3CCCCC3)n2n1
InChIInChI=1S/C12H16N4OS/c1-8-7-10-14-12(17)18-11(16(10)15-8)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,14,17)/b13-11-
InChIKeyXOZFBXFTKNCESN-QBFSEMIESA-N
XLogP1.63
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-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 4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
The IUPAC name of 4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one (CID 135481143) is 4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one.
What is the SMILES notation for 4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
The canonical SMILES for 4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one is Cc1cc2[nH]c(=O)s/c(=N\C3CCCCC3)n2n1.
What is the InChIKey of 4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
The InChIKey is XOZFBXFTKNCESN-QBFSEMIESA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-7-10-14-12(17)18-11(16(10)15-8)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,14,17)/b13-11-.
What are the key properties of 4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one has a molecular weight of 264.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one is sourced from PubChem (CID 135481143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).