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

C13H21N5O — CID 66281696

IUPAC6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCCNC(CCC)Cc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C13H21N5O/c1-3-5-10(14-8-4-2)9-11-6-7-12-15-16-13(19)18(12)17-11/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyQYHSWAQQHWHUDA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds7

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

6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281696) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281696
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCCNC(CCC)Cc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C13H21N5O/c1-3-5-10(14-8-4-2)9-11-6-7-12-15-16-13(19)18(12)17-11/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyQYHSWAQQHWHUDA-UHFFFAOYSA-N
XLogP1.13
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281503
6-[3-methoxy-2-(methylamino)propyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284236
6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284043
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66268796
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
N-propyl-1-quinolin-2-ylpentan-2-amine
CID 63198598
6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282443
6-(3-bromopentan-2-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282288
6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103757099
6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281496

Frequently Asked Questions

What is the IUPAC name of 6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281696) is 6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCCNC(CCC)Cc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is QYHSWAQQHWHUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-5-10(14-8-4-2)9-11-6-7-12-15-16-13(19)18(12)17-11/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,16,19).
What are the key properties of 6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(propylamino)pentyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).