4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one

C16H21ClN6O — CID 174250402

IUPAC4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(CCNc3ccccn3)CC2)c(Cl)c1=O
InChIInChI=1S/C16H21ClN6O/c1-21-16(24)15(17)13(12-20-21)23-10-8-22(9-11-23)7-6-19-14-4-2-3-5-18-14/h2-5,12H,6-11H2,1H3,(H,18,19)
InChIKeyMSYTUAJJOVKEAN-UHFFFAOYSA-N
MW348.84 g/mol
LogP1.06
Rot. Bonds5

About 4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one

4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 174250402) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one
PubChem CID174250402
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(CCNc3ccccn3)CC2)c(Cl)c1=O
InChIInChI=1S/C16H21ClN6O/c1-21-16(24)15(17)13(12-20-21)23-10-8-22(9-11-23)7-6-19-14-4-2-3-5-18-14/h2-5,12H,6-11H2,1H3,(H,18,19)
InChIKeyMSYTUAJJOVKEAN-UHFFFAOYSA-N
XLogP1.06
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
4-chloro-2-methyl-5-(4-propyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 133314325
4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 17088020
5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726215
4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726267
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 66864566
2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417336
4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
CID 171998786
N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 19694155
4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one
CID 71995967
5-[(3S)-3-anilinopiperidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 97226291
4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 71861488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one (CID 174250402) is 4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one is Cn1ncc(N2CCN(CCNc3ccccn3)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is MSYTUAJJOVKEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-21-16(24)15(17)13(12-20-21)23-10-8-22(9-11-23)7-6-19-14-4-2-3-5-18-14/h2-5,12H,6-11H2,1H3,(H,18,19).
What are the key properties of 4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one?
4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 348.84 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 174250402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).