1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C9H14ClN3OS — CID 106246053

IUPAC1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3OS/c1-9(14,6-15-2)5-11-8-4-3-7(10)12-13-8/h3-4,14H,5-6H2,1-2H3,(H,11,13)
InChIKeyYXSFDBQNIISNFE-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.66
Rot. Bonds5

About 1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106246053) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106246053
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3OS/c1-9(14,6-15-2)5-11-8-4-3-7(10)12-13-8/h3-4,14H,5-6H2,1-2H3,(H,11,13)
InChIKeyYXSFDBQNIISNFE-UHFFFAOYSA-N
XLogP1.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol with MolForge

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Related Compounds

1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 107257871
2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol
CID 103731198
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248450
2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 106248046
2-[[(6-chloropyridazin-3-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430117
2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol
CID 103820180
(2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97020107
1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 71862378
3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol
CID 106185543
6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine
CID 106293271
1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248452
1-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 71977966

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106246053) is 1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1ccc(Cl)nn1.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is YXSFDBQNIISNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-9(14,6-15-2)5-11-8-4-3-7(10)12-13-8/h3-4,14H,5-6H2,1-2H3,(H,11,13).
What are the key properties of 1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 247.75 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106246053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).