5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one

C13H23N3O — CID 106548504

IUPAC5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one
SMILESCCCNC(C)CCCn1ncc(C)cc1=O
InChIInChI=1S/C13H23N3O/c1-4-7-14-12(3)6-5-8-16-13(17)9-11(2)10-15-16/h9-10,12,14H,4-8H2,1-3H3
InChIKeyZRLGRWMVDVSUNA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds7

About 5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one

5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one (PubChem CID 106548504) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one
PubChem CID106548504
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one
SMILESCCCNC(C)CCCn1ncc(C)cc1=O
InChIInChI=1S/C13H23N3O/c1-4-7-14-12(3)6-5-8-16-13(17)9-11(2)10-15-16/h9-10,12,14H,4-8H2,1-3H3
InChIKeyZRLGRWMVDVSUNA-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
CID 166162665
4-Methyl-2-piperidin-3-ylpyridazin-3-one
CID 166162695
Ethane;5-methyl-2-propan-2-ylpyridazin-3-one
CID 169135485
6-oxo-N-propan-2-yl-1H-pyridazine-4-carboxamide
CID 170237311
2-Cyclobutyl-5-methylpyridazin-3-one;propane
CID 171811526
2-[2-(Heptan-2-ylamino)ethyl]pyridazin-3-one
CID 55126826
2-[3-(Propylamino)butyl]pyridazin-3-one
CID 62848727
2-[2-(Pentylamino)ethyl]pyridazin-3-one
CID 62848748
2-[3-(Methylamino)butyl]pyridazin-3-one
CID 62849068
2-[4-(Propan-2-ylamino)butyl]pyridazin-3-one
CID 62849625
2-[4-(Tert-butylamino)butyl]pyridazin-3-one
CID 62849627
2-(2-Aminopentyl)pyridazin-3-one
CID 62849776

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one (CID 106548504) is 5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one is CCCNC(C)CCCn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one?
The InChIKey is ZRLGRWMVDVSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-7-14-12(3)6-5-8-16-13(17)9-11(2)10-15-16/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of 5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one?
5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one has a molecular weight of 237.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(propylamino)pentyl]pyridazin-3-one is sourced from PubChem (CID 106548504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).