ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate

C12H14N4O2 — CID 167661116

IUPACethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(CC)c(-n2ccnc2)nn1
InChIInChI=1S/C12H14N4O2/c1-3-9-7-10(12(17)18-4-2)14-15-11(9)16-6-5-13-8-16/h5-8H,3-4H2,1-2H3
InChIKeyGSZPVWLIDLMKEE-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.40
Rot. Bonds4

About ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate

ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate (PubChem CID 167661116) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate
PubChem CID167661116
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Nameethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(CC)c(-n2ccnc2)nn1
InChIInChI=1S/C12H14N4O2/c1-3-9-7-10(12(17)18-4-2)14-15-11(9)16-6-5-13-8-16/h5-8H,3-4H2,1-2H3
InChIKeyGSZPVWLIDLMKEE-UHFFFAOYSA-N
XLogP1.40
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclopentene-1-carboxylate
CID 139444570
ethyl 3-imidazol-1-yl-5-nitrobenzoate
CID 139817791
ethyl 4-[4-(4-imidazol-1-ylbenzoyl)triazol-1-yl]benzoate
CID 1489100
ethyl 3-imidazol-1-yl-2-nitrobenzoate
CID 59587735
3-ethyl-4-imidazol-1-ylbenzoic acid
CID 84681695
ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate
CID 11844589
ethyl 5-methylpyridazine-3-carboxylate
CID 150390069
4-imidazol-1-yl-2-methylbenzamide
CID 81276047
ethyl 2-(4-imidazol-1-ylanilino)-2-oxoacetate
CID 19438777
ethyl 5-aminopyridazine-3-carboxylate
CID 58897536
2-ethyl-6-imidazol-1-ylaniline
CID 84661065

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate (CID 167661116) is ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate is CCOC(=O)c1cc(CC)c(-n2ccnc2)nn1.
What is the InChIKey of ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate?
The InChIKey is GSZPVWLIDLMKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-9-7-10(12(17)18-4-2)14-15-11(9)16-6-5-13-8-16/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate?
ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate is sourced from PubChem (CID 167661116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).