1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride

C14H23Cl2N5O — CID 119873688

IUPAC1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C14H21N5O.2ClH/c20-14(11-12-3-1-5-15-12)19-9-7-18(8-10-19)13-4-2-6-16-17-13;;/h2,4,6,12,15H,1,3,5,7-11H2;2*1H
InChIKeyKDZKOUODQRITEL-UHFFFAOYSA-N
MW348.28 g/mol
LogP1.11
Rot. Bonds3

About 1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride

1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride (PubChem CID 119873688) has the molecular formula C14H23Cl2N5O and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
PubChem CID119873688
Molecular FormulaC14H23Cl2N5O
Molecular Weight348.28 g/mol
Exact Mass347.13
IUPAC Name1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C14H21N5O.2ClH/c20-14(11-12-3-1-5-15-12)19-9-7-18(8-10-19)13-4-2-6-16-17-13;;/h2,4,6,12,15H,1,3,5,7-11H2;2*1H
InChIKeyKDZKOUODQRITEL-UHFFFAOYSA-N
XLogP1.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoropiperidin-4-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
CID 167843419
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea
CID 154736160
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119851715
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119708720
1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119754563
3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257105
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119687257
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
The IUPAC name of 1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride (CID 119873688) is 1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride.
What is the SMILES notation for 1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
The canonical SMILES for 1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)N1CCN(c2cccnn2)CC1.
What is the InChIKey of 1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
The InChIKey is KDZKOUODQRITEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.2ClH/c20-14(11-12-3-1-5-15-12)19-9-7-18(8-10-19)13-4-2-6-16-17-13;;/h2,4,6,12,15H,1,3,5,7-11H2;2*1H.
What are the key properties of 1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride has a molecular weight of 348.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride is sourced from PubChem (CID 119873688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).