4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one

C13H21ClN4O — CID 104976171

IUPAC4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N2CCN[C@H](C)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-9(2)7-18-13(19)12(14)11(6-16-18)17-5-4-15-10(3)8-17/h6,9-10,15H,4-5,7-8H2,1-3H3/t10-/m1/s1
InChIKeyOLZNBKKDUCNBIF-SNVBAGLBSA-N
MW284.79 g/mol
LogP1.35
Rot. Bonds3

About 4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 104976171) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID104976171
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N2CCN[C@H](C)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-9(2)7-18-13(19)12(14)11(6-16-18)17-5-4-15-10(3)8-17/h6,9-10,15H,4-5,7-8H2,1-3H3/t10-/m1/s1
InChIKeyOLZNBKKDUCNBIF-SNVBAGLBSA-N
XLogP1.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445759
4-chloro-5-(1,4-diazepan-1-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 114430967
5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114443792
4-chloro-5-[2-(methylaminomethyl)morpholin-4-yl]-2-(2-methylpropyl)pyridazin-3-one
CID 114446614
4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one
CID 104976047
4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445774
4-bromo-5-[(3S)-3-methylpiperazin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 104977432
1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549177
4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444303
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114432474
5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one
CID 114446594
4-chloro-2-(2-methylpropyl)-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436816

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one (CID 104976171) is 4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(N2CCN[C@H](C)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is OLZNBKKDUCNBIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9(2)7-18-13(19)12(14)11(6-16-18)17-5-4-15-10(3)8-17/h6,9-10,15H,4-5,7-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 104976171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).