ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate

C11H14Cl2N4O2 — CID 114011878

IUPACethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C11H14Cl2N4O2/c1-2-19-11(18)17-5-3-16(4-6-17)8-7-9(12)14-15-10(8)13/h7H,2-6H2,1H3
InChIKeyDGXRHBLJSHWGTR-UHFFFAOYSA-N
MW305.17 g/mol
LogP2.06
Rot. Bonds2

About ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate

ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate (PubChem CID 114011878) has the molecular formula C11H14Cl2N4O2 and a molecular weight of 305.17 g/mol. Its IUPAC name is ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate
PubChem CID114011878
Molecular FormulaC11H14Cl2N4O2
Molecular Weight305.17 g/mol
Exact Mass304.05
IUPAC Nameethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C11H14Cl2N4O2/c1-2-19-11(18)17-5-3-16(4-6-17)8-7-9(12)14-15-10(8)13/h7H,2-6H2,1H3
InChIKeyDGXRHBLJSHWGTR-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 1481937
ethyl 4-(4-bromo-2-chlorophenyl)piperazine-1-carboxylate
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ethyl 4-[2-(aminomethyl)-4-chlorophenyl]piperazine-1-carboxylate
CID 107876779
ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877548
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
ethyl 4-(2-chloro-4-nitrophenyl)piperazine-1-carboxylate
CID 5302992
4-amino-3-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid
CID 107877589
ethyl 4-(6-chloro-5-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877549
ethyl 4-(3-chloro-2-formylphenyl)piperazine-1-carboxylate
CID 107877137
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
tert-butyl (3S)-4-(3,6-dichloropyridazin-4-yl)-3-formylpiperazine-1-carboxylate
CID 176880192
ethyl 4-(4-butanoyl-2-fluoro-5-methylphenyl)piperazine-1-carboxylate
CID 883191

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate (CID 114011878) is ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(Cl)nnc2Cl)CC1.
What is the InChIKey of ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate?
The InChIKey is DGXRHBLJSHWGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O2/c1-2-19-11(18)17-5-3-16(4-6-17)8-7-9(12)14-15-10(8)13/h7H,2-6H2,1H3.
What are the key properties of ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate?
ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate has a molecular weight of 305.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 114011878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).