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

C17H23N7O — CID 71811000

IUPAC2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C17H23N7O/c25-17(11-14-3-1-2-4-14)23-9-7-22(8-10-23)15-5-6-16(21-20-15)24-13-18-12-19-24/h5-6,12-14H,1-4,7-11H2
InChIKeyGJYDJGOUTWIIBA-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.29
Rot. Bonds4

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

2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 71811000) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID71811000
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C17H23N7O/c25-17(11-14-3-1-2-4-14)23-9-7-22(8-10-23)15-5-6-16(21-20-15)24-13-18-12-19-24/h5-6,12-14H,1-4,7-11H2
InChIKeyGJYDJGOUTWIIBA-UHFFFAOYSA-N
XLogP1.29
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclohexyl-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90626424
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-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053550
2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053451
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
(1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145994
cyclohex-3-en-1-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719895
2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121145945
phenyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145824
N-(cyclopropylmethyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601619
2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one
CID 121145999
7-methyl-3-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 121146085

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 71811000) is 2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is O=C(CC1CCCC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is GJYDJGOUTWIIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c25-17(11-14-3-1-2-4-14)23-9-7-22(8-10-23)15-5-6-16(21-20-15)24-13-18-12-19-24/h5-6,12-14H,1-4,7-11H2.
What are the key properties of 2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 341.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 71811000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).