5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one

C15H24N4O — CID 72900645

IUPAC5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one
SMILESNCC1CCN(c2cnn(CC3CCC3)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O/c16-9-12-4-6-18(7-5-12)14-8-15(20)19(17-10-14)11-13-2-1-3-13/h8,10,12-13H,1-7,9,11,16H2
InChIKeyBKSRDFLCKJUJAJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.22
Rot. Bonds4

About 5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one

5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one (PubChem CID 72900645) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one
PubChem CID72900645
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one
SMILESNCC1CCN(c2cnn(CC3CCC3)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O/c16-9-12-4-6-18(7-5-12)14-8-15(20)19(17-10-14)11-13-2-1-3-13/h8,10,12-13H,1-7,9,11,16H2
InChIKeyBKSRDFLCKJUJAJ-UHFFFAOYSA-N
XLogP1.22
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one?
The IUPAC name of 5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one (CID 72900645) is 5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one?
The canonical SMILES for 5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one is NCC1CCN(c2cnn(CC3CCC3)c(=O)c2)CC1.
What is the InChIKey of 5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one?
The InChIKey is BKSRDFLCKJUJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-9-12-4-6-18(7-5-12)14-8-15(20)19(17-10-14)11-13-2-1-3-13/h8,10,12-13H,1-7,9,11,16H2.
What are the key properties of 5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one?
5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3-one is sourced from PubChem (CID 72900645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).