3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol

C9H16N4OS — CID 106162990

IUPAC3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1ccc(N)nn1
InChIInChI=1S/C9H16N4OS/c1-6(7(5-14)15-2)11-9-4-3-8(10)12-13-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyYYNANBVUXIYTPU-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.58
Rot. Bonds5

About 3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106162990) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID106162990
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1ccc(N)nn1
InChIInChI=1S/C9H16N4OS/c1-6(7(5-14)15-2)11-9-4-3-8(10)12-13-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyYYNANBVUXIYTPU-UHFFFAOYSA-N
XLogP0.58
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol with MolForge

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Related Compounds

3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 114151096
3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol
CID 106155064
3-[(5-methoxy-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 104696818
3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 106159122
3-[(6-methyl-5-nitro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103764733
6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpyridine-3-carboxylic acid
CID 106161963
(2S,3R)-2-methylsulfanyl-3-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]butan-1-ol
CID 124729995
3-[(6-ethoxypyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113464431
3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163695
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103819994
2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 106163426
3-(2-amino-4-iodoanilino)-2-methylsulfanylbutan-1-ol
CID 106154806

Frequently Asked Questions

What is the IUPAC name of 3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol (CID 106162990) is 3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1ccc(N)nn1.
What is the InChIKey of 3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is YYNANBVUXIYTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-6(7(5-14)15-2)11-9-4-3-8(10)12-13-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 228.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106162990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).