2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one

C12H14ClN5OS — CID 114395546

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1Cc1nnsc1Cl
InChIInChI=1S/C12H14ClN5OS/c13-12-10(15-16-20-12)8-18-11(19)6-9(7-14-18)17-4-2-1-3-5-17/h6-7H,1-5,8H2
InChIKeyZXUYCLGAHFETGG-UHFFFAOYSA-N
MW311.80 g/mol
LogP1.79
Rot. Bonds3

About 2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one

2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114395546) has the molecular formula C12H14ClN5OS and a molecular weight of 311.80 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID114395546
Molecular FormulaC12H14ClN5OS
Molecular Weight311.80 g/mol
Exact Mass311.06
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1Cc1nnsc1Cl
InChIInChI=1S/C12H14ClN5OS/c13-12-10(15-16-20-12)8-18-11(19)6-9(7-14-18)17-4-2-1-3-5-17/h6-7H,1-5,8H2
InChIKeyZXUYCLGAHFETGG-UHFFFAOYSA-N
XLogP1.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one (CID 114395546) is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)cnn1Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is ZXUYCLGAHFETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5OS/c13-12-10(15-16-20-12)8-18-11(19)6-9(7-14-18)17-4-2-1-3-5-17/h6-7H,1-5,8H2.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 311.80 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114395546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).