4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid

C13H17N3O4 — CID 104669564

IUPAC4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid
SMILESCCc1nnc(C)cc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H17N3O4/c1-3-10-9(6-8(2)14-15-10)12(17)16-4-5-20-11(7-16)13(18)19/h6,11H,3-5,7H2,1-2H3,(H,18,19)
InChIKeyBQCSLAYEONMRMB-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.27
Rot. Bonds3

About 4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid

4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid (PubChem CID 104669564) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid
PubChem CID104669564
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid
SMILESCCc1nnc(C)cc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H17N3O4/c1-3-10-9(6-8(2)14-15-10)12(17)16-4-5-20-11(7-16)13(18)19/h6,11H,3-5,7H2,1-2H3,(H,18,19)
InChIKeyBQCSLAYEONMRMB-UHFFFAOYSA-N
XLogP0.27
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-2-yl]acetic acid
CID 104669797
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 104669654
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117046
(3-chloropyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104672468
(3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 104625783
(3-aminopyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 113439379
1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidine-3-carbothioamide
CID 104670482
(3-amino-5-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671650
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid
CID 104669843
(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124685287
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104669366

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid (CID 104669564) is 4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid is CCc1nnc(C)cc1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is BQCSLAYEONMRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-3-10-9(6-8(2)14-15-10)12(17)16-4-5-20-11(7-16)13(18)19/h6,11H,3-5,7H2,1-2H3,(H,18,19).
What are the key properties of 4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid?
4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 104669564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).