5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one

C11H16ClN3OS — CID 114117075

IUPAC5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one
SMILESCSC1(CNc2cn[nH]c(=O)c2Cl)CCCC1
InChIInChI=1S/C11H16ClN3OS/c1-17-11(4-2-3-5-11)7-13-8-6-14-15-10(16)9(8)12/h6H,2-5,7H2,1H3,(H2,13,15,16)
InChIKeyNRQIAHSTECGMAI-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.51
Rot. Bonds4

About 5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one

5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one (PubChem CID 114117075) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one
PubChem CID114117075
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one
SMILESCSC1(CNc2cn[nH]c(=O)c2Cl)CCCC1
InChIInChI=1S/C11H16ClN3OS/c1-17-11(4-2-3-5-11)7-13-8-6-14-15-10(16)9(8)12/h6H,2-5,7H2,1H3,(H2,13,15,16)
InChIKeyNRQIAHSTECGMAI-UHFFFAOYSA-N
XLogP2.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one (CID 114117075) is 5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one is CSC1(CNc2cn[nH]c(=O)c2Cl)CCCC1.
What is the InChIKey of 5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is NRQIAHSTECGMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-17-11(4-2-3-5-11)7-13-8-6-14-15-10(16)9(8)12/h6H,2-5,7H2,1H3,(H2,13,15,16).
What are the key properties of 5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 273.79 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 114117075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).