5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one

C13H21ClN4O — CID 114443792

IUPAC5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N2CCCC(N)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-9(2)7-18-13(19)12(14)11(6-16-18)17-5-3-4-10(15)8-17/h6,9-10H,3-5,7-8,15H2,1-2H3
InChIKeySYVZRBVZLJFALU-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.48
Rot. Bonds3

About 5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one

5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114443792) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114443792
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N2CCCC(N)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-9(2)7-18-13(19)12(14)11(6-16-18)17-5-3-4-10(15)8-17/h6,9-10H,3-5,7-8,15H2,1-2H3
InChIKeySYVZRBVZLJFALU-UHFFFAOYSA-N
XLogP1.48
TPSA64.15 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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one
CID 104976171
4-chloro-5-(1,4-diazepan-1-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 114430967
5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
CID 114444360
4-chloro-5-[2-(methylaminomethyl)morpholin-4-yl]-2-(2-methylpropyl)pyridazin-3-one
CID 114446614
5-[3-(aminomethyl)piperidin-1-yl]-2-butyl-4-chloropyridazin-3-one
CID 114444353
5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
CID 114445742
4-chloro-5-[3-[1-(methylamino)ethyl]piperidin-1-yl]-2-prop-2-enylpyridazin-3-one
CID 114443666
5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one
CID 114446594
4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
CID 33286693
5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one
CID 114446592
5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 114447140
1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549177

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one (CID 114443792) is 5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(N2CCCC(N)C2)c(Cl)c1=O.
What is the InChIKey of 5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is SYVZRBVZLJFALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9(2)7-18-13(19)12(14)11(6-16-18)17-5-3-4-10(15)8-17/h6,9-10H,3-5,7-8,15H2,1-2H3.
What are the key properties of 5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114443792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).