5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one

C18H24ClN5O2 — CID 14726215

IUPAC5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2c(Cl)cnn(C)c2=O)CC1
InChIInChI=1S/C18H24ClN5O2/c1-22-18(25)17(14(19)13-21-22)20-7-8-23-9-11-24(12-10-23)15-5-3-4-6-16(15)26-2/h3-6,13,20H,7-12H2,1-2H3
InChIKeyKGHUNJFPNBDMSJ-UHFFFAOYSA-N
MW377.88 g/mol
LogP1.68
Rot. Bonds6

About 5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one

5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one (PubChem CID 14726215) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
PubChem CID14726215
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2c(Cl)cnn(C)c2=O)CC1
InChIInChI=1S/C18H24ClN5O2/c1-22-18(25)17(14(19)13-21-22)20-7-8-23-9-11-24(12-10-23)15-5-3-4-6-16(15)26-2/h3-6,13,20H,7-12H2,1-2H3
InChIKeyKGHUNJFPNBDMSJ-UHFFFAOYSA-N
XLogP1.68
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726283
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
2-tert-butyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726392
3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one
CID 14726465
2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726394
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one
CID 10074286
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
N'-(2-chlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268915
4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one
CID 174250402
2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one?
The IUPAC name of 5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one (CID 14726215) is 5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one is COc1ccccc1N1CCN(CCNc2c(Cl)cnn(C)c2=O)CC1.
What is the InChIKey of 5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one?
The InChIKey is KGHUNJFPNBDMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-22-18(25)17(14(19)13-21-22)20-7-8-23-9-11-24(12-10-23)15-5-3-4-6-16(15)26-2/h3-6,13,20H,7-12H2,1-2H3.
What are the key properties of 5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one?
5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one has a molecular weight of 377.88 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 14726215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).