tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate

C20H27N5O2 — CID 113043075

IUPACtert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)27-19(26)21-17-9-10-18(23-22-17)25-13-11-24(12-14-25)15-16-7-5-4-6-8-16/h4-10H,11-15H2,1-3H3,(H,21,22,26)
InChIKeyXDJCDKSPUMJZIY-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.15
Rot. Bonds4

About tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate

tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate (PubChem CID 113043075) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate
PubChem CID113043075
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Nametert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)27-19(26)21-17-9-10-18(23-22-17)25-13-11-24(12-14-25)15-16-7-5-4-6-8-16/h4-10H,11-15H2,1-3H3,(H,21,22,26)
InChIKeyXDJCDKSPUMJZIY-UHFFFAOYSA-N
XLogP3.15
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043128
tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044889
N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide
CID 113043076
tert-butyl N-[2-[[6-(4-benzylpiperazin-1-yl)pyridine-3-carbonyl]amino]phenyl]carbamate;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]phenyl]carbamate
CID 158182406
methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044887
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 171701163
tert-butyl N-[4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]phenyl]carbamate
CID 67339893
tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl 4-benzyl-1,4-diazepane-1-carboxylate;ethane
CID 170594815
2-phenyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113043868

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate (CID 113043075) is tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)nn1.
What is the InChIKey of tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate?
The InChIKey is XDJCDKSPUMJZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-20(2,3)27-19(26)21-17-9-10-18(23-22-17)25-13-11-24(12-14-25)15-16-7-5-4-6-8-16/h4-10H,11-15H2,1-3H3,(H,21,22,26).
What are the key properties of tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate?
tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate has a molecular weight of 369.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113043075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).