1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone

C15H19N5O2 — CID 170928633

IUPAC1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(N2CCOC[C@H]2C)cc1-c1ccnn1C
InChIInChI=1S/C15H19N5O2/c1-10-9-22-7-6-20(10)14-8-12(13-4-5-16-19(13)3)15(11(2)21)18-17-14/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1
InChIKeyKDTGUHQLDJEJKJ-SNVBAGLBSA-N
MW301.35 g/mol
LogP1.30
Rot. Bonds3

About 1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone

1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone (PubChem CID 170928633) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone
PubChem CID170928633
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(N2CCOC[C@H]2C)cc1-c1ccnn1C
InChIInChI=1S/C15H19N5O2/c1-10-9-22-7-6-20(10)14-8-12(13-4-5-16-19(13)3)15(11(2)21)18-17-14/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1
InChIKeyKDTGUHQLDJEJKJ-SNVBAGLBSA-N
XLogP1.30
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone?
The IUPAC name of 1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone (CID 170928633) is 1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone is CC(=O)c1nnc(N2CCOC[C@H]2C)cc1-c1ccnn1C.
What is the InChIKey of 1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone?
The InChIKey is KDTGUHQLDJEJKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-9-22-7-6-20(10)14-8-12(13-4-5-16-19(13)3)15(11(2)21)18-17-14/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone?
1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone has a molecular weight of 301.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone is sourced from PubChem (CID 170928633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).