3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one

C17H22ClN5O2 — CID 14726465

IUPAC3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one
SMILESCOc1ccccc1N1CCN(CCNc2cc(Cl)n[nH]c2=O)CC1
InChIInChI=1S/C17H22ClN5O2/c1-25-15-5-3-2-4-14(15)23-10-8-22(9-11-23)7-6-19-13-12-16(18)20-21-17(13)24/h2-5,12H,6-11H2,1H3,(H,19,20)(H,21,24)
InChIKeyNVLGDEVSYQKLOL-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.67
Rot. Bonds6

About 3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one

3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one (PubChem CID 14726465) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one
PubChem CID14726465
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Name3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one
SMILESCOc1ccccc1N1CCN(CCNc2cc(Cl)n[nH]c2=O)CC1
InChIInChI=1S/C17H22ClN5O2/c1-25-15-5-3-2-4-14(15)23-10-8-22(9-11-23)7-6-19-13-12-16(18)20-21-17(13)24/h2-5,12H,6-11H2,1H3,(H,19,20)(H,21,24)
InChIKeyNVLGDEVSYQKLOL-UHFFFAOYSA-N
XLogP1.67
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726283
5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726215
2-tert-butyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726392
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090
2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726394
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
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266897

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one (CID 14726465) is 3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one is COc1ccccc1N1CCN(CCNc2cc(Cl)n[nH]c2=O)CC1.
What is the InChIKey of 3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one?
The InChIKey is NVLGDEVSYQKLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-25-15-5-3-2-4-14(15)23-10-8-22(9-11-23)7-6-19-13-12-16(18)20-21-17(13)24/h2-5,12H,6-11H2,1H3,(H,19,20)(H,21,24).
What are the key properties of 3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one?
3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one has a molecular weight of 363.85 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 14726465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).