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

C19H25N5O2 — CID 113043128

IUPACtert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C19H25N5O2/c1-19(2,3)26-18(25)20-16-9-10-17(22-21-16)24-13-11-23(12-14-24)15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3,(H,20,21,25)
InChIKeyORZYECWNBOYCBP-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.15
Rot. Bonds3

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

tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate (PubChem CID 113043128) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
PubChem CID113043128
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Nametert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C19H25N5O2/c1-19(2,3)26-18(25)20-16-9-10-17(22-21-16)24-13-11-23(12-14-24)15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3,(H,20,21,25)
InChIKeyORZYECWNBOYCBP-UHFFFAOYSA-N
XLogP3.15
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043075
tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044889
N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide
CID 113043097
N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113043147
3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043115
methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044887
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
CID 113043687
ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043939
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
CID 113043638
tert-butyl N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]carbamate
CID 112984524

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate (CID 113043128) is tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)nn1.
What is the InChIKey of tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate?
The InChIKey is ORZYECWNBOYCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-19(2,3)26-18(25)20-16-9-10-17(22-21-16)24-13-11-23(12-14-24)15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3,(H,20,21,25).
What are the key properties of tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate?
tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate has a molecular weight of 355.44 g/mol, XLogP of 3.15, 3 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-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113043128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).