1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C11H18ClN3OS — CID 106248452

IUPAC1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H18ClN3OS/c1-7-8(2)10(15-14-9(7)12)13-5-11(3,16)6-17-4/h16H,5-6H2,1-4H3,(H,13,15)
InChIKeyZWABTFAHQAUJNK-UHFFFAOYSA-N
MW275.81 g/mol
LogP2.27
Rot. Bonds5

About 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106248452) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106248452
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H18ClN3OS/c1-7-8(2)10(15-14-9(7)12)13-5-11(3,16)6-17-4/h16H,5-6H2,1-4H3,(H,13,15)
InChIKeyZWABTFAHQAUJNK-UHFFFAOYSA-N
XLogP2.27
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106248452) is 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1nnc(Cl)c(C)c1C.
What is the InChIKey of 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is ZWABTFAHQAUJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-7-8(2)10(15-14-9(7)12)13-5-11(3,16)6-17-4/h16H,5-6H2,1-4H3,(H,13,15).
What are the key properties of 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 275.81 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106248452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).