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

C13H20N6O — CID 66268796

IUPAC6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCCNC1CCN(c2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C13H20N6O/c1-2-7-14-10-5-8-18(9-6-10)12-4-3-11-15-16-13(20)19(11)17-12/h3-4,10,14H,2,5-9H2,1H3,(H,16,20)
InChIKeyCHBHPODNSIGAGF-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.39
Rot. Bonds4

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

6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66268796) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66268796
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCCNC1CCN(c2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C13H20N6O/c1-2-7-14-10-5-8-18(9-6-10)12-4-3-11-15-16-13(20)19(11)17-12/h3-4,10,14H,2,5-9H2,1H3,(H,16,20)
InChIKeyCHBHPODNSIGAGF-UHFFFAOYSA-N
XLogP0.39
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66268796) is 6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCCNC1CCN(c2ccc3n[nH]c(=O)n3n2)CC1.
What is the InChIKey of 6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is CHBHPODNSIGAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-2-7-14-10-5-8-18(9-6-10)12-4-3-11-15-16-13(20)19(11)17-12/h3-4,10,14H,2,5-9H2,1H3,(H,16,20).
What are the key properties of 6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66268796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).