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

C12H17N3O3 — CID 113439125

IUPAC4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
SMILESCCc1nnc(C)cc1C(=O)NCCCC(=O)O
InChIInChI=1S/C12H17N3O3/c1-3-10-9(7-8(2)14-15-10)12(18)13-6-4-5-11(16)17/h7H,3-6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyFJTKOOMVKNDRDV-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.94
Rot. Bonds6

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

4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid (PubChem CID 113439125) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
PubChem CID113439125
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
SMILESCCc1nnc(C)cc1C(=O)NCCCC(=O)O
InChIInChI=1S/C12H17N3O3/c1-3-10-9(7-8(2)14-15-10)12(18)13-6-4-5-11(16)17/h7H,3-6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyFJTKOOMVKNDRDV-UHFFFAOYSA-N
XLogP0.94
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670847
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113439081
N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847967
N-(6-chlorohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847354
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
N-(4-bromopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106131553
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106122559
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 104669767
3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid
CID 104669492
3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide
CID 113439347
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid (CID 113439125) is 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid is CCc1nnc(C)cc1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid?
The InChIKey is FJTKOOMVKNDRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-10-9(7-8(2)14-15-10)12(18)13-6-4-5-11(16)17/h7H,3-6H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid?
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 113439125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).