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

C16H24N6O — CID 72909935

IUPAC5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one
SMILESNCC1CCN(c2cnn(CCCn3cccn3)c(=O)c2)CC1
InChIInChI=1S/C16H24N6O/c17-12-14-3-9-20(10-4-14)15-11-16(23)22(19-13-15)8-2-7-21-6-1-5-18-21/h1,5-6,11,13-14H,2-4,7-10,12,17H2
InChIKeyAZPAMTQBSOMEFT-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.71
Rot. Bonds6

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

5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one (PubChem CID 72909935) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one
PubChem CID72909935
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one
SMILESNCC1CCN(c2cnn(CCCn3cccn3)c(=O)c2)CC1
InChIInChI=1S/C16H24N6O/c17-12-14-3-9-20(10-4-14)15-11-16(23)22(19-13-15)8-2-7-21-6-1-5-18-21/h1,5-6,11,13-14H,2-4,7-10,12,17H2
InChIKeyAZPAMTQBSOMEFT-UHFFFAOYSA-N
XLogP0.71
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one (CID 72909935) is 5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one is NCC1CCN(c2cnn(CCCn3cccn3)c(=O)c2)CC1.
What is the InChIKey of 5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
The InChIKey is AZPAMTQBSOMEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c17-12-14-3-9-20(10-4-14)15-11-16(23)22(19-13-15)8-2-7-21-6-1-5-18-21/h1,5-6,11,13-14H,2-4,7-10,12,17H2.
What are the key properties of 5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one has a molecular weight of 316.41 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)piperidin-1-yl]-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 72909935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).