ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate

C17H21N5O4 — CID 109117552

IUPACethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)NCc3ccco3)nn2)CC1
InChIInChI=1S/C17H21N5O4/c1-2-25-17(24)22-9-7-21(8-10-22)15-6-5-14(19-20-15)16(23)18-12-13-4-3-11-26-13/h3-6,11H,2,7-10,12H2,1H3,(H,18,23)
InChIKeyYNZRQIOHPQIMMF-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.28
Rot. Bonds5

About ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate

ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate (PubChem CID 109117552) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
PubChem CID109117552
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Nameethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)NCc3ccco3)nn2)CC1
InChIInChI=1S/C17H21N5O4/c1-2-25-17(24)22-9-7-21(8-10-22)15-6-5-14(19-20-15)16(23)18-12-13-4-3-11-26-13/h3-6,11H,2,7-10,12H2,1H3,(H,18,23)
InChIKeyYNZRQIOHPQIMMF-UHFFFAOYSA-N
XLogP1.28
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114455
ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
CID 109115372
ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109111593
6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 71778620
5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279162
6-amino-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62156387
ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 46275330
ethyl 4-[6-[(4-ethoxyphenyl)carbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
CID 109123840
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121393
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
ethyl 4-[6-(azepane-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109123810
ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109155401

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate (CID 109117552) is ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(C(=O)NCc3ccco3)nn2)CC1.
What is the InChIKey of ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
The InChIKey is YNZRQIOHPQIMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-2-25-17(24)22-9-7-21(8-10-22)15-6-5-14(19-20-15)16(23)18-12-13-4-3-11-26-13/h3-6,11H,2,7-10,12H2,1H3,(H,18,23).
What are the key properties of ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 109117552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).