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

C13H19N5OS — CID 71977980

IUPAC2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ccc(-n2ccc(C)n2)nn1
InChIInChI=1S/C13H19N5OS/c1-10-6-7-18(17-10)12-5-4-11(15-16-12)14-8-13(2,19)9-20-3/h4-7,19H,8-9H2,1-3H3,(H,14,15)
InChIKeyLMUUCXLNUSIJKQ-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.50
Rot. Bonds6

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

2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol (PubChem CID 71977980) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol
PubChem CID71977980
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ccc(-n2ccc(C)n2)nn1
InChIInChI=1S/C13H19N5OS/c1-10-6-7-18(17-10)12-5-4-11(15-16-12)14-8-13(2,19)9-20-3/h4-7,19H,8-9H2,1-3H3,(H,14,15)
InChIKeyLMUUCXLNUSIJKQ-UHFFFAOYSA-N
XLogP1.50
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol?
The IUPAC name of 2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol (CID 71977980) is 2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1ccc(-n2ccc(C)n2)nn1.
What is the InChIKey of 2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol?
The InChIKey is LMUUCXLNUSIJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-10-6-7-18(17-10)12-5-4-11(15-16-12)14-8-13(2,19)9-20-3/h4-7,19H,8-9H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol?
2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol has a molecular weight of 293.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 71977980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).