2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C16H24N6O — CID 72929849

IUPAC2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCc1nccn1CCCn1ncc(N2CCN(C)CC2)cc1=O
InChIInChI=1S/C16H24N6O/c1-14-17-4-7-20(14)5-3-6-22-16(23)12-15(13-18-22)21-10-8-19(2)9-11-21/h4,7,12-13H,3,5-6,8-11H2,1-2H3
InChIKeySRLAYOFGIXPMCC-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.59
Rot. Bonds5

About 2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one

2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 72929849) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID72929849
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCc1nccn1CCCn1ncc(N2CCN(C)CC2)cc1=O
InChIInChI=1S/C16H24N6O/c1-14-17-4-7-20(14)5-3-6-22-16(23)12-15(13-18-22)21-10-8-19(2)9-11-21/h4,7,12-13H,3,5-6,8-11H2,1-2H3
InChIKeySRLAYOFGIXPMCC-UHFFFAOYSA-N
XLogP0.59
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorobutyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394284
5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one
CID 114396148
2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396424
5-(4-methylpiperazin-1-yl)-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114398963
2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396453
5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
CID 103221754
2-[(1-ethylimidazol-2-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
CID 45240872
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-[2-(benzimidazol-1-yl)ethyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 72894863
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 29257142
2-methyl-1-(3-methylsulfonylpropyl)imidazole
CID 63239256
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 72929849) is 2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one is Cc1nccn1CCCn1ncc(N2CCN(C)CC2)cc1=O.
What is the InChIKey of 2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is SRLAYOFGIXPMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-14-17-4-7-20(14)5-3-6-22-16(23)12-15(13-18-22)21-10-8-19(2)9-11-21/h4,7,12-13H,3,5-6,8-11H2,1-2H3.
What are the key properties of 2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 316.41 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 72929849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).