4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one

C19H25Cl2N5O — CID 133293053

IUPAC4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one
SMILESCc1ccc(-n2ncc(NC(C)CN3CCN(C)CC3)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C19H25Cl2N5O/c1-13-4-5-15(10-16(13)20)26-19(27)18(21)17(11-22-26)23-14(2)12-25-8-6-24(3)7-9-25/h4-5,10-11,14,23H,6-9,12H2,1-3H3
InChIKeyRZXNGDGSNYULCN-UHFFFAOYSA-N
MW410.35 g/mol
LogP2.90
Rot. Bonds5

About 4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one

4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one (PubChem CID 133293053) has the molecular formula C19H25Cl2N5O and a molecular weight of 410.35 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one
PubChem CID133293053
Molecular FormulaC19H25Cl2N5O
Molecular Weight410.35 g/mol
Exact Mass409.14
IUPAC Name4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one
SMILESCc1ccc(-n2ncc(NC(C)CN3CCN(C)CC3)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C19H25Cl2N5O/c1-13-4-5-15(10-16(13)20)26-19(27)18(21)17(11-22-26)23-14(2)12-25-8-6-24(3)7-9-25/h4-5,10-11,14,23H,6-9,12H2,1-3H3
InChIKeyRZXNGDGSNYULCN-UHFFFAOYSA-N
XLogP2.90
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 60507497
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CID 133441864
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridazin-3-one
CID 133305246
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one
CID 56584883
4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one
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5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one (CID 133293053) is 4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one is Cc1ccc(-n2ncc(NC(C)CN3CCN(C)CC3)c(Cl)c2=O)cc1Cl.
What is the InChIKey of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one?
The InChIKey is RZXNGDGSNYULCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N5O/c1-13-4-5-15(10-16(13)20)26-19(27)18(21)17(11-22-26)23-14(2)12-25-8-6-24(3)7-9-25/h4-5,10-11,14,23H,6-9,12H2,1-3H3.
What are the key properties of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one?
4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one has a molecular weight of 410.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one is sourced from PubChem (CID 133293053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).