6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one

C16H17N3O3 — CID 94095562

IUPAC6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one
SMILESC[C@H]1COCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H17N3O3/c1-12-11-22-10-9-18(12)16(21)14-7-8-15(20)19(17-14)13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3/t12-/m0/s1
InChIKeyBMCMTOJNTFBASM-LBPRGKRZSA-N
MW299.33 g/mol
LogP1.09
Rot. Bonds2

About 6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one

6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one (PubChem CID 94095562) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one
PubChem CID94095562
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one
SMILESC[C@H]1COCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H17N3O3/c1-12-11-22-10-9-18(12)16(21)14-7-8-15(20)19(17-14)13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3/t12-/m0/s1
InChIKeyBMCMTOJNTFBASM-LBPRGKRZSA-N
XLogP1.09
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one (CID 94095562) is 6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one is C[C@H]1COCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one?
The InChIKey is BMCMTOJNTFBASM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-12-11-22-10-9-18(12)16(21)14-7-8-15(20)19(17-14)13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3/t12-/m0/s1.
What are the key properties of 6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one?
6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one has a molecular weight of 299.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 94095562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).