ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate

C15H19N7O2 — CID 113043939

IUPACethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C15H19N7O2/c1-2-24-15(23)18-12-4-5-13(20-19-12)21-8-10-22(11-9-21)14-16-6-3-7-17-14/h3-7H,2,8-11H2,1H3,(H,18,19,23)
InChIKeyZCAPVCFVCHGRKB-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.16
Rot. Bonds4

About ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate

ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate (PubChem CID 113043939) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
PubChem CID113043939
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Nameethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C15H19N7O2/c1-2-24-15(23)18-12-4-5-13(20-19-12)21-8-10-22(11-9-21)14-16-6-3-7-17-14/h3-7H,2,8-11H2,1H3,(H,18,19,23)
InChIKeyZCAPVCFVCHGRKB-UHFFFAOYSA-N
XLogP1.16
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
CID 113029652
3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide
CID 113043924
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-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
ethyl 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112862923
3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 113043949
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043584
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124209

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate?
The IUPAC name of ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate (CID 113043939) is ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate is CCOC(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)nn1.
What is the InChIKey of ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate?
The InChIKey is ZCAPVCFVCHGRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-2-24-15(23)18-12-4-5-13(20-19-12)21-8-10-22(11-9-21)14-16-6-3-7-17-14/h3-7H,2,8-11H2,1H3,(H,18,19,23).
What are the key properties of ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate?
ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate has a molecular weight of 329.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113043939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).