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

C10H14N4OS — CID 135540437

IUPAC4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
SMILESCCCC/N=c1\sc(=O)[nH]c2cc(C)nn12
InChIInChI=1S/C10H14N4OS/c1-3-4-5-11-9-14-8(6-7(2)13-14)12-10(15)16-9/h6H,3-5H2,1-2H3,(H,12,15)/b11-9-
InChIKeyUNGVUBZUWZKKSM-LUAWRHEFSA-N
MW238.32 g/mol
LogP1.09
Rot. Bonds3

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

4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one (PubChem CID 135540437) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one.

Molecular Properties

Compound Name4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
PubChem CID135540437
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
SMILESCCCC/N=c1\sc(=O)[nH]c2cc(C)nn12
InChIInChI=1S/C10H14N4OS/c1-3-4-5-11-9-14-8(6-7(2)13-14)12-10(15)16-9/h6H,3-5H2,1-2H3,(H,12,15)/b11-9-
InChIKeyUNGVUBZUWZKKSM-LUAWRHEFSA-N
XLogP1.09
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
The IUPAC name of 4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one (CID 135540437) is 4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one.
What is the SMILES notation for 4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
The canonical SMILES for 4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one is CCCC/N=c1\sc(=O)[nH]c2cc(C)nn12.
What is the InChIKey of 4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
The InChIKey is UNGVUBZUWZKKSM-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-3-4-5-11-9-14-8(6-7(2)13-14)12-10(15)16-9/h6H,3-5H2,1-2H3,(H,12,15)/b11-9-.
What are the key properties of 4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one has a molecular weight of 238.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one is sourced from PubChem (CID 135540437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).