3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine

C19H25ClN4O2 — CID 50964261

IUPAC3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine
SMILESCCOc1cc(Cl)c(CN2CCN(c3ccc(C)nn3)CC2)cc1OC
InChIInChI=1S/C19H25ClN4O2/c1-4-26-18-12-16(20)15(11-17(18)25-3)13-23-7-9-24(10-8-23)19-6-5-14(2)21-22-19/h5-6,11-12H,4,7-10,13H2,1-3H3
InChIKeyDDBNLGFSZWEXSX-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.17
Rot. Bonds6

About 3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine

3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine (PubChem CID 50964261) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine
PubChem CID50964261
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine
SMILESCCOc1cc(Cl)c(CN2CCN(c3ccc(C)nn3)CC2)cc1OC
InChIInChI=1S/C19H25ClN4O2/c1-4-26-18-12-16(20)15(11-17(18)25-3)13-23-7-9-24(10-8-23)19-6-5-14(2)21-22-19/h5-6,11-12H,4,7-10,13H2,1-3H3
InChIKeyDDBNLGFSZWEXSX-UHFFFAOYSA-N
XLogP3.17
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide
CID 77089726
1-[(3-methoxy-4-methylphenyl)methyl]-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 122139450
[(2R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99973684
1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
CID 117495710
3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341352
1-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-(2-methylsulfanylethyl)piperazine
CID 77082738
(3S,4R)-1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134712962
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
N-(3-chloro-4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide
CID 50946755
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122282433
3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine
CID 50969918
1-(3,5-dichloro-2-pyridinyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 112772605

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine (CID 50964261) is 3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine is CCOc1cc(Cl)c(CN2CCN(c3ccc(C)nn3)CC2)cc1OC.
What is the InChIKey of 3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine?
The InChIKey is DDBNLGFSZWEXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-4-26-18-12-16(20)15(11-17(18)25-3)13-23-7-9-24(10-8-23)19-6-5-14(2)21-22-19/h5-6,11-12H,4,7-10,13H2,1-3H3.
What are the key properties of 3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine?
3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine has a molecular weight of 376.89 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 50964261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).