methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate

C15H20N4O3 — CID 133378921

IUPACmethyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate
SMILESCCc1nnc(N2CCOC(C(=O)OC)C2)c(C#N)c1CC
InChIInChI=1S/C15H20N4O3/c1-4-10-11(8-16)14(18-17-12(10)5-2)19-6-7-22-13(9-19)15(20)21-3/h13H,4-7,9H2,1-3H3
InChIKeyNPQOCSNNAZPHAH-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.85
Rot. Bonds4

About methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate

methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate (PubChem CID 133378921) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate
PubChem CID133378921
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Namemethyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate
SMILESCCc1nnc(N2CCOC(C(=O)OC)C2)c(C#N)c1CC
InChIInChI=1S/C15H20N4O3/c1-4-10-11(8-16)14(18-17-12(10)5-2)19-6-7-22-13(9-19)15(20)21-3/h13H,4-7,9H2,1-3H3
InChIKeyNPQOCSNNAZPHAH-UHFFFAOYSA-N
XLogP0.85
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133359923
3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80515008
3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133378940
2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid
CID 116681863
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373131
2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 133373077
5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile
CID 115871295
3-(3,5-dioxopiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80510131
methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate
CID 78995503
3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 82994484
1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 133360980

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate (CID 133378921) is methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate is CCc1nnc(N2CCOC(C(=O)OC)C2)c(C#N)c1CC.
What is the InChIKey of methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate?
The InChIKey is NPQOCSNNAZPHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-10-11(8-16)14(18-17-12(10)5-2)19-6-7-22-13(9-19)15(20)21-3/h13H,4-7,9H2,1-3H3.
What are the key properties of methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate?
methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate is sourced from PubChem (CID 133378921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).