6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C12H19N3O3 — CID 94051421

IUPAC6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESC[C@@H]1CN(C(=O)C2=NN(C)C(=O)CC2)[C@H](C)CO1
InChIInChI=1S/C12H19N3O3/c1-8-7-18-9(2)6-15(8)12(17)10-4-5-11(16)14(3)13-10/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyDJZXKNKXGMNZAQ-RKDXNWHRSA-N
MW253.30 g/mol
LogP0.23
Rot. Bonds1

About 6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 94051421) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID94051421
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESC[C@@H]1CN(C(=O)C2=NN(C)C(=O)CC2)[C@H](C)CO1
InChIInChI=1S/C12H19N3O3/c1-8-7-18-9(2)6-15(8)12(17)10-4-5-11(16)14(3)13-10/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyDJZXKNKXGMNZAQ-RKDXNWHRSA-N
XLogP0.23
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 94051421) is 6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is C[C@@H]1CN(C(=O)C2=NN(C)C(=O)CC2)[C@H](C)CO1.
What is the InChIKey of 6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is DJZXKNKXGMNZAQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-7-18-9(2)6-15(8)12(17)10-4-5-11(16)14(3)13-10/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of 6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 253.30 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 94051421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).