2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one

C15H17N3O4 — CID 97071367

IUPAC2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one
SMILESCc1ccc([C@@H]2COCCN2C(=O)c2ccc(=O)n(C)n2)o1
InChIInChI=1S/C15H17N3O4/c1-10-3-5-13(22-10)12-9-21-8-7-18(12)15(20)11-4-6-14(19)17(2)16-11/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1
InChIKeyQFPGVNLQVLNVIU-LBPRGKRZSA-N
MW303.32 g/mol
LogP0.90
Rot. Bonds2

About 2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one

2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one (PubChem CID 97071367) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one
PubChem CID97071367
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one
SMILESCc1ccc([C@@H]2COCCN2C(=O)c2ccc(=O)n(C)n2)o1
InChIInChI=1S/C15H17N3O4/c1-10-3-5-13(22-10)12-9-21-8-7-18(12)15(20)11-4-6-14(19)17(2)16-11/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1
InChIKeyQFPGVNLQVLNVIU-LBPRGKRZSA-N
XLogP0.90
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one (CID 97071367) is 2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one is Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(=O)n(C)n2)o1.
What is the InChIKey of 2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one?
The InChIKey is QFPGVNLQVLNVIU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-3-5-13(22-10)12-9-21-8-7-18(12)15(20)11-4-6-14(19)17(2)16-11/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one?
2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one has a molecular weight of 303.32 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one is sourced from PubChem (CID 97071367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).