ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate

C16H25N5O3 — CID 109111593

IUPACethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)NC(C)CC)nn2)CC1
InChIInChI=1S/C16H25N5O3/c1-4-12(3)17-15(22)13-6-7-14(19-18-13)20-8-10-21(11-9-20)16(23)24-5-2/h6-7,12H,4-5,8-11H2,1-3H3,(H,17,22)
InChIKeyYQOKFBNWIBPOKC-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.28
Rot. Bonds5

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

ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate (PubChem CID 109111593) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
PubChem CID109111593
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Nameethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)NC(C)CC)nn2)CC1
InChIInChI=1S/C16H25N5O3/c1-4-12(3)17-15(22)13-6-7-14(19-18-13)20-8-10-21(11-9-20)16(23)24-5-2/h6-7,12H,4-5,8-11H2,1-3H3,(H,17,22)
InChIKeyYQOKFBNWIBPOKC-UHFFFAOYSA-N
XLogP1.28
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
CID 109115372
ethyl 4-[6-[(4-ethoxyphenyl)carbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
CID 109123840
ethyl 4-[6-(azepane-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109123810
N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120508189
ethyl 4-[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109116660
ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109117552
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
ethyl 4-[6-(2,2-dimethylpropanoylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043573
ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043578
ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109225171
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate (CID 109111593) is ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(C(=O)NC(C)CC)nn2)CC1.
What is the InChIKey of ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
The InChIKey is YQOKFBNWIBPOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-4-12(3)17-15(22)13-6-7-14(19-18-13)20-8-10-21(11-9-20)16(23)24-5-2/h6-7,12H,4-5,8-11H2,1-3H3,(H,17,22).
What are the key properties of ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate has a molecular weight of 335.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 109111593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).