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

C14H22N6O — CID 66281496

IUPAC6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCCNCC1CCCCN1c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C14H22N6O/c1-2-8-15-10-11-5-3-4-9-19(11)13-7-6-12-16-17-14(21)20(12)18-13/h6-7,11,15H,2-5,8-10H2,1H3,(H,17,21)
InChIKeyNAGQVIYLLDKXMX-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.78
Rot. Bonds5

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

6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281496) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281496
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCCNCC1CCCCN1c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C14H22N6O/c1-2-8-15-10-11-5-3-4-9-19(11)13-7-6-12-16-17-14(21)20(12)18-13/h6-7,11,15H,2-5,8-10H2,1H3,(H,17,21)
InChIKeyNAGQVIYLLDKXMX-UHFFFAOYSA-N
XLogP0.78
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(ethylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284428
6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282272
6-[2-(bromomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 80667736
6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283446
6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66268796
N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 64831286
3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930486
4-[2-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 63855111
6-(3-bromopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 80673252
N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]propan-1-amine
CID 62592530
6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284395
6-[3-(aminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283978

Frequently Asked Questions

What is the IUPAC name of 6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281496) is 6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCCNCC1CCCCN1c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is NAGQVIYLLDKXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-2-8-15-10-11-5-3-4-9-19(11)13-7-6-12-16-17-14(21)20(12)18-13/h6-7,11,15H,2-5,8-10H2,1H3,(H,17,21).
What are the key properties of 6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).