2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

C19H21N7O — CID 121145945

IUPAC2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C19H21N7O/c1-15-4-2-3-5-16(15)12-19(27)25-10-8-24(9-11-25)17-6-7-18(23-22-17)26-14-20-13-21-26/h2-7,13-14H,8-12H2,1H3
InChIKeyVRZPIMBUKGTVSY-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.26
Rot. Bonds4

About 2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 121145945) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID121145945
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C19H21N7O/c1-15-4-2-3-5-16(15)12-19(27)25-10-8-24(9-11-25)17-6-7-18(23-22-17)26-14-20-13-21-26/h2-7,13-14H,8-12H2,1H3
InChIKeyVRZPIMBUKGTVSY-UHFFFAOYSA-N
XLogP1.26
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
CID 121145863
2-(2-methylphenyl)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133300459
2-(2-chlorophenyl)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345835
2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one
CID 121145999
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113040589
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110665105
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-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 121145945) is 2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is Cc1ccccc1CC(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of 2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is VRZPIMBUKGTVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-15-4-2-3-5-16(15)12-19(27)25-10-8-24(9-11-25)17-6-7-18(23-22-17)26-14-20-13-21-26/h2-7,13-14H,8-12H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 363.43 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121145945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).