N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide

C14H21N5O2 — CID 104671306

IUPACN,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC(=O)N2CCNCC2)c(C)nn1
InChIInChI=1S/C14H21N5O2/c1-10-8-12(11(2)17-16-10)14(21)18(3)9-13(20)19-6-4-15-5-7-19/h8,15H,4-7,9H2,1-3H3
InChIKeyKGILLBGHFHEBCE-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.40
Rot. Bonds3

About N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide

N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide (PubChem CID 104671306) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide
PubChem CID104671306
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC(=O)N2CCNCC2)c(C)nn1
InChIInChI=1S/C14H21N5O2/c1-10-8-12(11(2)17-16-10)14(21)18(3)9-13(20)19-6-4-15-5-7-19/h8,15H,4-7,9H2,1-3H3
InChIKeyKGILLBGHFHEBCE-UHFFFAOYSA-N
XLogP-0.40
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671415
N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119454691
2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454543
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61019216
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454674
2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865
2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454843
2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61018145
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119454974
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 64951471
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 65198629
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797

Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide?
The IUPAC name of N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide (CID 104671306) is N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide?
The canonical SMILES for N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide is Cc1cc(C(=O)N(C)CC(=O)N2CCNCC2)c(C)nn1.
What is the InChIKey of N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide?
The InChIKey is KGILLBGHFHEBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10-8-12(11(2)17-16-10)14(21)18(3)9-13(20)19-6-4-15-5-7-19/h8,15H,4-7,9H2,1-3H3.
What are the key properties of N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide?
N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide has a molecular weight of 291.36 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 104671306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).