tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate

C15H24N4O3 — CID 134413919

IUPACtert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(N2CCN(CCO)CC2)nn1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)12-4-5-13(17-16-12)19-8-6-18(7-9-19)10-11-20/h4-5,20H,6-11H2,1-3H3
InChIKeySRELSLZNBQZCDE-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.55
Rot. Bonds4

About tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate

tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate (PubChem CID 134413919) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate
PubChem CID134413919
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(N2CCN(CCO)CC2)nn1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)12-4-5-13(17-16-12)19-8-6-18(7-9-19)10-11-20/h4-5,20H,6-11H2,1-3H3
InChIKeySRELSLZNBQZCDE-UHFFFAOYSA-N
XLogP0.55
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 6-[4-[[2-ethyl-4-(3-hydroxyphenyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylate
CID 169272503
prop-2-enyl 6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-3-carboxylate
CID 164571077
tert-butyl 6-[4-[[3-(5-hydroxy-3-pyridinyl)-5-propan-2-yloxyphenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylate
CID 169270924
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 121053608
2-[4-[6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 122336864
methanol;methyl 6-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridazine-3-carboxylate;6-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid;molecular iodine;triiodide
CID 161088539
cyclopentyl-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336576
tert-butyl 4-[6-(N'-hydroxycarbamimidoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 175623819
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 171701163
4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600
(4-chlorophenyl)-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053623
N-[2-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122336706

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate?
The IUPAC name of tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate (CID 134413919) is tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate?
The canonical SMILES for tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate is CC(C)(C)OC(=O)c1ccc(N2CCN(CCO)CC2)nn1.
What is the InChIKey of tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate?
The InChIKey is SRELSLZNBQZCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)12-4-5-13(17-16-12)19-8-6-18(7-9-19)10-11-20/h4-5,20H,6-11H2,1-3H3.
What are the key properties of tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate?
tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 134413919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).