5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one

C13H21ClN4O — CID 114444360

IUPAC5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCCC(CN)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-2-5-18-13(19)12(14)11(8-16-18)17-6-3-4-10(7-15)9-17/h8,10H,2-7,9,15H2,1H3
InChIKeyWACSTAUSMYZRLY-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.48
Rot. Bonds4

About 5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one

5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one (PubChem CID 114444360) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
PubChem CID114444360
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCCC(CN)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-2-5-18-13(19)12(14)11(8-16-18)17-6-3-4-10(7-15)9-17/h8,10H,2-7,9,15H2,1H3
InChIKeyWACSTAUSMYZRLY-UHFFFAOYSA-N
XLogP1.48
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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
5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114443792
4-chloro-5-[4-(ethylamino)piperidin-1-yl]-2-propylpyridazin-3-one
CID 114443611
5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one
CID 114446592
5-[3-(aminomethyl)piperidin-1-yl]-4-bromo-2-prop-2-enylpyridazin-3-one
CID 114444351
4-[3-(aminomethyl)piperidin-1-yl]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444352
2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445759
5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one
CID 114443644
4-chloro-2-(2-methoxyethyl)-5-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
CID 114444903
4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
CID 33286693
4-chloro-5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129352579

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one?
The IUPAC name of 5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one (CID 114444360) is 5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one?
The canonical SMILES for 5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one is CCCn1ncc(N2CCCC(CN)C2)c(Cl)c1=O.
What is the InChIKey of 5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one?
The InChIKey is WACSTAUSMYZRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-2-5-18-13(19)12(14)11(8-16-18)17-6-3-4-10(7-15)9-17/h8,10H,2-7,9,15H2,1H3.
What are the key properties of 5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one?
5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one is sourced from PubChem (CID 114444360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).