2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide

C15H20N6O2S — CID 71805232

IUPAC2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
SMILESO=C(CSC1CCCC1)NCCn1nc(-n2cncn2)ccc1=O
InChIInChI=1S/C15H20N6O2S/c22-14(9-24-12-3-1-2-4-12)17-7-8-20-15(23)6-5-13(19-20)21-11-16-10-18-21/h5-6,10-12H,1-4,7-9H2,(H,17,22)
InChIKeyQGHZXTALNBSJBC-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.62
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide

2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide (PubChem CID 71805232) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
PubChem CID71805232
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
SMILESO=C(CSC1CCCC1)NCCn1nc(-n2cncn2)ccc1=O
InChIInChI=1S/C15H20N6O2S/c22-14(9-24-12-3-1-2-4-12)17-7-8-20-15(23)6-5-13(19-20)21-11-16-10-18-21/h5-6,10-12H,1-4,7-9H2,(H,17,22)
InChIKeyQGHZXTALNBSJBC-UHFFFAOYSA-N
XLogP0.62
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide (CID 71805232) is 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide is O=C(CSC1CCCC1)NCCn1nc(-n2cncn2)ccc1=O.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?
The InChIKey is QGHZXTALNBSJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c22-14(9-24-12-3-1-2-4-12)17-7-8-20-15(23)6-5-13(19-20)21-11-16-10-18-21/h5-6,10-12H,1-4,7-9H2,(H,17,22).
What are the key properties of 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?
2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 71805232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).