2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid

C14H19N3O4 — CID 104669843

IUPAC2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid
SMILESCCc1nnc(C)cc1C(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C14H19N3O4/c1-3-12-11(6-9(2)15-16-12)14(20)17-4-5-21-8-10(17)7-13(18)19/h6,10H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyXCNLSTMWJJHTEM-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.66
Rot. Bonds4

About 2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid

2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 104669843) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid
PubChem CID104669843
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid
SMILESCCc1nnc(C)cc1C(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C14H19N3O4/c1-3-12-11(6-9(2)15-16-12)14(20)17-4-5-21-8-10(17)7-13(18)19/h6,10H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyXCNLSTMWJJHTEM-UHFFFAOYSA-N
XLogP0.66
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-dimethylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 102801314
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-2-yl]acetic acid
CID 104669797
4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid
CID 104669564
[2-(aminomethyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671716
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
(3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 104671210
2-[(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholin-3-yl]acetic acid
CID 124572832
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
[2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104669016
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid (CID 104669843) is 2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid is CCc1nnc(C)cc1C(=O)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is XCNLSTMWJJHTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-12-11(6-9(2)15-16-12)14(20)17-4-5-21-8-10(17)7-13(18)19/h6,10H,3-5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid?
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 104669843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).