3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine

C18H18Cl2N4O — CID 126767532

IUPAC3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
SMILESClc1cc(Cl)c2c(c1)C=C(CN1CCN(c3cccnn3)CC1)CO2
InChIInChI=1S/C18H18Cl2N4O/c19-15-9-14-8-13(12-25-18(14)16(20)10-15)11-23-4-6-24(7-5-23)17-2-1-3-21-22-17/h1-3,8-10H,4-7,11-12H2
InChIKeyBRBZPZMWSAJPRK-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.38
Rot. Bonds3

About 3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine

3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine (PubChem CID 126767532) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
PubChem CID126767532
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
SMILESClc1cc(Cl)c2c(c1)C=C(CN1CCN(c3cccnn3)CC1)CO2
InChIInChI=1S/C18H18Cl2N4O/c19-15-9-14-8-13(12-25-18(14)16(20)10-15)11-23-4-6-24(7-5-23)17-2-1-3-21-22-17/h1-3,8-10H,4-7,11-12H2
InChIKeyBRBZPZMWSAJPRK-UHFFFAOYSA-N
XLogP3.38
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
CID 50980464
3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine
CID 15124613
1-(4-benzylpiperazin-1-yl)-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
CID 86894393
3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 154575990
3-[4-(chloromethyl)piperidin-1-yl]pyridazine
CID 63390374
(2S)-1,1,1-trifluoro-2-methyl-3-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-2-ol
CID 124874313
2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 138992592
3-(4-methylidenepiperidin-1-yl)pyridazine
CID 126992423
5-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-amine
CID 55079861
2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole
CID 86894398
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119125297
4-chloro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]aniline
CID 79557493

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine (CID 126767532) is 3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine is Clc1cc(Cl)c2c(c1)C=C(CN1CCN(c3cccnn3)CC1)CO2.
What is the InChIKey of 3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine?
The InChIKey is BRBZPZMWSAJPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c19-15-9-14-8-13(12-25-18(14)16(20)10-15)11-23-4-6-24(7-5-23)17-2-1-3-21-22-17/h1-3,8-10H,4-7,11-12H2.
What are the key properties of 3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine?
3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine has a molecular weight of 377.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 126767532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).