6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C12H18N6O — CID 66268795

IUPAC6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCNC1CCN(c2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C12H18N6O/c1-2-13-9-5-7-17(8-6-9)11-4-3-10-14-15-12(19)18(10)16-11/h3-4,9,13H,2,5-8H2,1H3,(H,15,19)
InChIKeyPRIIBNSBZLWPDN-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.00
Rot. Bonds3

About 6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66268795) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66268795
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCNC1CCN(c2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C12H18N6O/c1-2-13-9-5-7-17(8-6-9)11-4-3-10-14-15-12(19)18(10)16-11/h3-4,9,13H,2,5-8H2,1H3,(H,15,19)
InChIKeyPRIIBNSBZLWPDN-UHFFFAOYSA-N
XLogP-0.00
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66268795) is 6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCNC1CCN(c2ccc3n[nH]c(=O)n3n2)CC1.
What is the InChIKey of 6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is PRIIBNSBZLWPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-2-13-9-5-7-17(8-6-9)11-4-3-10-14-15-12(19)18(10)16-11/h3-4,9,13H,2,5-8H2,1H3,(H,15,19).
What are the key properties of 6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 262.32 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(ethylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66268795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).