1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide

C13H18F3N5O2 — CID 120810889

IUPAC1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)ccc1=O
InChIInChI=1S/C13H18F3N5O2/c1-20-11(22)3-2-9(19-20)12(23)18-8-10(13(14,15)16)21-6-4-17-5-7-21/h2-3,10,17H,4-8H2,1H3,(H,18,23)
InChIKeyLUYKXKJMBNRVMJ-UHFFFAOYSA-N
MW333.31 g/mol
LogP-0.65
Rot. Bonds4

About 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide (PubChem CID 120810889) has the molecular formula C13H18F3N5O2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide
PubChem CID120810889
Molecular FormulaC13H18F3N5O2
Molecular Weight333.31 g/mol
Exact Mass333.14
IUPAC Name1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)ccc1=O
InChIInChI=1S/C13H18F3N5O2/c1-20-11(22)3-2-9(19-20)12(23)18-8-10(13(14,15)16)21-6-4-17-5-7-21/h2-3,10,17H,4-8H2,1H3,(H,18,23)
InChIKeyLUYKXKJMBNRVMJ-UHFFFAOYSA-N
XLogP-0.65
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide (CID 120810889) is 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide is Cn1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide?
The InChIKey is LUYKXKJMBNRVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O2/c1-20-11(22)3-2-9(19-20)12(23)18-8-10(13(14,15)16)21-6-4-17-5-7-21/h2-3,10,17H,4-8H2,1H3,(H,18,23).
What are the key properties of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide has a molecular weight of 333.31 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 120810889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).