3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine

C18H20Cl2N4 — CID 122281509

IUPAC3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
SMILESClc1ccc(CN2CCN(c3cc4c(nn3)CCC4)CC2)cc1Cl
InChIInChI=1S/C18H20Cl2N4/c19-15-5-4-13(10-16(15)20)12-23-6-8-24(9-7-23)18-11-14-2-1-3-17(14)21-22-18/h4-5,10-11H,1-3,6-9,12H2
InChIKeyYMYGZONMALBDBD-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.59
Rot. Bonds3

About 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine

3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine (PubChem CID 122281509) has the molecular formula C18H20Cl2N4 and a molecular weight of 363.29 g/mol. Its IUPAC name is 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine.

Molecular Properties

Compound Name3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
PubChem CID122281509
Molecular FormulaC18H20Cl2N4
Molecular Weight363.29 g/mol
Exact Mass362.11
IUPAC Name3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
SMILESClc1ccc(CN2CCN(c3cc4c(nn3)CCC4)CC2)cc1Cl
InChIInChI=1S/C18H20Cl2N4/c19-15-5-4-13(10-16(15)20)12-23-6-8-24(9-7-23)18-11-14-2-1-3-17(14)21-22-18/h4-5,10-11H,1-3,6-9,12H2
InChIKeyYMYGZONMALBDBD-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122281075
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide
CID 166601245
(2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
CID 122281052
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-2-ylpiperazine
CID 165351505
2-[2-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915147
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 122281528
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122281024
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-propylphenyl)methanone
CID 122281417
1-(2-bromoethyl)-4-[(3,4-dichlorophenyl)methyl]piperazine
CID 80674464
3-(1,4-diazepan-1-yl)-5,6,7,8-tetrahydrocinnoline
CID 112708518
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
CID 793280

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The IUPAC name of 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine (CID 122281509) is 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine.
What is the SMILES notation for 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The canonical SMILES for 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine is Clc1ccc(CN2CCN(c3cc4c(nn3)CCC4)CC2)cc1Cl.
What is the InChIKey of 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The InChIKey is YMYGZONMALBDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4/c19-15-5-4-13(10-16(15)20)12-23-6-8-24(9-7-23)18-11-14-2-1-3-17(14)21-22-18/h4-5,10-11H,1-3,6-9,12H2.
What are the key properties of 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine has a molecular weight of 363.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine is sourced from PubChem (CID 122281509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).