2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine

C15H23N5O — CID 116803056

IUPAC2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(Oc2cnn(C(C)C)c2)nn1
InChIInChI=1S/C15H23N5O/c1-11(2)7-16-8-13-5-6-15(19-18-13)21-14-9-17-20(10-14)12(3)4/h5-6,9-12,16H,7-8H2,1-4H3
InChIKeyLGBRIAOZLMYMSA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.79
Rot. Bonds7

About 2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine

2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine (PubChem CID 116803056) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
PubChem CID116803056
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(Oc2cnn(C(C)C)c2)nn1
InChIInChI=1S/C15H23N5O/c1-11(2)7-16-8-13-5-6-15(19-18-13)21-14-9-17-20(10-14)12(3)4/h5-6,9-12,16H,7-8H2,1-4H3
InChIKeyLGBRIAOZLMYMSA-UHFFFAOYSA-N
XLogP2.79
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 116802800
2-methyl-N-[[6-(4-methylpentan-2-yloxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62290113
N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 62296786
N-[[6-(2,4-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 62297972
2-methyl-N-[[6-(2-piperidin-1-ylethoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62297550
N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine
CID 76938479
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 116803088
N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 104566336
N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 116803068
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
CID 116802420

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine (CID 116803056) is 2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine is CC(C)CNCc1ccc(Oc2cnn(C(C)C)c2)nn1.
What is the InChIKey of 2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is LGBRIAOZLMYMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(2)7-16-8-13-5-6-15(19-18-13)21-14-9-17-20(10-14)12(3)4/h5-6,9-12,16H,7-8H2,1-4H3.
What are the key properties of 2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 116803056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).