2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid

C12H17N3O3 — CID 104669542

IUPAC2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1nnc(C)cc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-5-9-8(6-7(2)14-15-9)10(16)13-12(3,4)11(17)18/h6H,5H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyHHOAGLKMPHJYDZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.94
Rot. Bonds4

About 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid

2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 104669542) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID104669542
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1nnc(C)cc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-5-9-8(6-7(2)14-15-9)10(16)13-12(3,4)11(17)18/h6H,5H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyHHOAGLKMPHJYDZ-UHFFFAOYSA-N
XLogP0.94
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 104669831
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625310
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671954
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 104669767
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 102810141
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid (CID 104669542) is 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid is CCc1nnc(C)cc1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is HHOAGLKMPHJYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-5-9-8(6-7(2)14-15-9)10(16)13-12(3,4)11(17)18/h6H,5H2,1-4H3,(H,13,16)(H,17,18).
What are the key properties of 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid?
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 104669542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).