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

C17H21Cl2N5O — CID 14726267

IUPAC4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCCN2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1=O
InChIInChI=1S/C17H21Cl2N5O/c1-22-17(25)16(19)15(12-21-22)20-5-6-23-7-9-24(10-8-23)14-4-2-3-13(18)11-14/h2-4,11-12,20H,5-10H2,1H3
InChIKeyLMHZRBMNIHUGEY-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.32
Rot. Bonds5

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

4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one (PubChem CID 14726267) has the molecular formula C17H21Cl2N5O and a molecular weight of 382.30 g/mol. Its IUPAC name is 4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
PubChem CID14726267
Molecular FormulaC17H21Cl2N5O
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCCN2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1=O
InChIInChI=1S/C17H21Cl2N5O/c1-22-17(25)16(19)15(12-21-22)20-5-6-23-7-9-24(10-8-23)14-4-2-3-13(18)11-14/h2-4,11-12,20H,5-10H2,1H3
InChIKeyLMHZRBMNIHUGEY-UHFFFAOYSA-N
XLogP2.32
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
CID 17489044
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
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2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one
CID 14726359
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one
CID 174250402
5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 60502796
2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726283
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133383624
5-[2-(azepan-1-yl)ethylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114434960
(2S)-2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide;trihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one (CID 14726267) is 4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one is Cn1ncc(NCCN2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one?
The InChIKey is LMHZRBMNIHUGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5O/c1-22-17(25)16(19)15(12-21-22)20-5-6-23-7-9-24(10-8-23)14-4-2-3-13(18)11-14/h2-4,11-12,20H,5-10H2,1H3.
What are the key properties of 4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one?
4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one has a molecular weight of 382.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 14726267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).