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

C13H19N5O2 — CID 75421727

IUPAC1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol
SMILESCOCC(C)(O)CNc1ccc(-n2ccc(C)n2)nn1
InChIInChI=1S/C13H19N5O2/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)
InChIKeyJVOAQKKJOXWYKN-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.78
Rot. Bonds6

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

1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol (PubChem CID 75421727) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol
PubChem CID75421727
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol
SMILESCOCC(C)(O)CNc1ccc(-n2ccc(C)n2)nn1
InChIInChI=1S/C13H19N5O2/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)
InChIKeyJVOAQKKJOXWYKN-UHFFFAOYSA-N
XLogP0.78
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol (CID 75421727) is 1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol is COCC(C)(O)CNc1ccc(-n2ccc(C)n2)nn1.
What is the InChIKey of 1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol?
The InChIKey is JVOAQKKJOXWYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/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 1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol?
1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol has a molecular weight of 277.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]propan-2-ol is sourced from PubChem (CID 75421727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).