(2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone

C11H17N3O2 — CID 167195666

IUPAC(2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone
SMILESCC1=C(C(=O)N2CCOCC2)C=NN(C)C1
InChIInChI=1S/C11H17N3O2/c1-9-8-13(2)12-7-10(9)11(15)14-3-5-16-6-4-14/h7H,3-6,8H2,1-2H3
InChIKeyKMVSZVOKNJRUOD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.09
Rot. Bonds1

About (2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone

(2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone (PubChem CID 167195666) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone
PubChem CID167195666
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone
SMILESCC1=C(C(=O)N2CCOCC2)C=NN(C)C1
InChIInChI=1S/C11H17N3O2/c1-9-8-13(2)12-7-10(9)11(15)14-3-5-16-6-4-14/h7H,3-6,8H2,1-2H3
InChIKeyKMVSZVOKNJRUOD-UHFFFAOYSA-N
XLogP0.09
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone (CID 167195666) is (2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone is CC1=C(C(=O)N2CCOCC2)C=NN(C)C1.
What is the InChIKey of (2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone?
The InChIKey is KMVSZVOKNJRUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-8-13(2)12-7-10(9)11(15)14-3-5-16-6-4-14/h7H,3-6,8H2,1-2H3.
What are the key properties of (2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone?
(2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone has a molecular weight of 223.28 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-3H-pyridazin-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 167195666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).