2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one

C18H27N7O — CID 121145999

IUPAC2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one
SMILESCCCC(CCC)C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C18H27N7O/c1-3-5-15(6-4-2)18(26)24-11-9-23(10-12-24)16-7-8-17(22-21-16)25-14-19-13-20-25/h7-8,13-15H,3-6,9-12H2,1-2H3
InChIKeyKUXOSYBRIJIOBL-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.92
Rot. Bonds7

About 2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one

2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one (PubChem CID 121145999) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one
PubChem CID121145999
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one
SMILESCCCC(CCC)C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C18H27N7O/c1-3-5-15(6-4-2)18(26)24-11-9-23(10-12-24)16-7-8-17(22-21-16)25-14-19-13-20-25/h7-8,13-15H,3-6,9-12H2,1-2H3
InChIKeyKUXOSYBRIJIOBL-UHFFFAOYSA-N
XLogP1.92
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one with MolForge

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Related Compounds

2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
CID 121145863
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-propylpentan-1-one
CID 7292465
2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 72719893
2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121145916
phenyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145824
2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 71811000
2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121145945
1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 121146045
(4-methoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145829
(1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145994
1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146117
pyridin-3-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719875

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one (CID 121145999) is 2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one is CCCC(CCC)C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of 2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one?
The InChIKey is KUXOSYBRIJIOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-3-5-15(6-4-2)18(26)24-11-9-23(10-12-24)16-7-8-17(22-21-16)25-14-19-13-20-25/h7-8,13-15H,3-6,9-12H2,1-2H3.
What are the key properties of 2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one?
2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one has a molecular weight of 357.46 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 121145999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).