2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol

C12H19N3OS — CID 133376193

IUPAC2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol
SMILESCSc1ccc(NCC2(CCO)CCC2)nn1
InChIInChI=1S/C12H19N3OS/c1-17-11-4-3-10(14-15-11)13-9-12(7-8-16)5-2-6-12/h3-4,16H,2,5-9H2,1H3,(H,13,14)
InChIKeyLNYSTIODHHFNEL-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds6

About 2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol

2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol (PubChem CID 133376193) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol
PubChem CID133376193
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol
SMILESCSc1ccc(NCC2(CCO)CCC2)nn1
InChIInChI=1S/C12H19N3OS/c1-17-11-4-3-10(14-15-11)13-9-12(7-8-16)5-2-6-12/h3-4,16H,2,5-9H2,1H3,(H,13,14)
InChIKeyLNYSTIODHHFNEL-UHFFFAOYSA-N
XLogP2.16
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol with MolForge

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Related Compounds

N-ethyl-6-methylsulfanylpyridazin-3-amine
CID 89470255
methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate
CID 114749606
6-[(1-ethylcyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103741792
2-[1-[[(5-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755814
6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid
CID 136548093
2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757222
6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 113256808
N-ethyl-6-[(1-ethylcyclopentyl)methylamino]pyridazine-3-carboxamide
CID 103764956
[1-[[(6-methylpyridazin-3-yl)amino]methyl]cyclopropyl]methanol
CID 115455152
N-ethyl-6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103761722
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide
CID 113295252
2-[1-[[(1-phenyltetrazol-5-yl)amino]methyl]cyclobutyl]ethanol
CID 133376008

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol?
The IUPAC name of 2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol (CID 133376193) is 2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol.
What is the SMILES notation for 2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol?
The canonical SMILES for 2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol is CSc1ccc(NCC2(CCO)CCC2)nn1.
What is the InChIKey of 2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol?
The InChIKey is LNYSTIODHHFNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-17-11-4-3-10(14-15-11)13-9-12(7-8-16)5-2-6-12/h3-4,16H,2,5-9H2,1H3,(H,13,14).
What are the key properties of 2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol?
2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol has a molecular weight of 253.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]cyclobutyl]ethanol is sourced from PubChem (CID 133376193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).