4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one

C20H28ClN5O2 — CID 44596765

IUPAC4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one
SMILESCc1nn(CCCN2CCN(c3ccc(Cl)cc3)CC2)c(=O)c(N)c1C(C)O
InChIInChI=1S/C20H28ClN5O2/c1-14-18(15(2)27)19(22)20(28)26(23-14)9-3-8-24-10-12-25(13-11-24)17-6-4-16(21)5-7-17/h4-7,15,27H,3,8-13,22H2,1-2H3
InChIKeyYWAUKNDTAFURKC-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.05
Rot. Bonds6

About 4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one

4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one (PubChem CID 44596765) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one
PubChem CID44596765
Molecular FormulaC20H28ClN5O2
Molecular Weight405.93 g/mol
Exact Mass405.19
IUPAC Name4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one
SMILESCc1nn(CCCN2CCN(c3ccc(Cl)cc3)CC2)c(=O)c(N)c1C(C)O
InChIInChI=1S/C20H28ClN5O2/c1-14-18(15(2)27)19(22)20(28)26(23-14)9-3-8-24-10-12-25(13-11-24)17-6-4-16(21)5-7-17/h4-7,15,27H,3,8-13,22H2,1-2H3
InChIKeyYWAUKNDTAFURKC-UHFFFAOYSA-N
XLogP2.05
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one
CID 44596861
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-methylphthalazin-1-one
CID 110183574
4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one
CID 44596437
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one
CID 44596866
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60849420
5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43554219
bis((Z)-but-2-enedioic acid);4-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]morpholine
CID 24840227
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 42388861
ethyl 2-[3-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-5-fluoro-4-oxophthalazin-1-yl]acetate
CID 142710332

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one?
The IUPAC name of 4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one (CID 44596765) is 4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one is Cc1nn(CCCN2CCN(c3ccc(Cl)cc3)CC2)c(=O)c(N)c1C(C)O.
What is the InChIKey of 4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one?
The InChIKey is YWAUKNDTAFURKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O2/c1-14-18(15(2)27)19(22)20(28)26(23-14)9-3-8-24-10-12-25(13-11-24)17-6-4-16(21)5-7-17/h4-7,15,27H,3,8-13,22H2,1-2H3.
What are the key properties of 4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one?
4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one has a molecular weight of 405.93 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 44596765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).