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

C14H25N3O — CID 106548510

IUPAC5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one
SMILESCCCNC(Cn1ncc(C)cc1=O)C(C)CC
InChIInChI=1S/C14H25N3O/c1-5-7-15-13(12(4)6-2)10-17-14(18)8-11(3)9-16-17/h8-9,12-13,15H,5-7,10H2,1-4H3
InChIKeyRQMGYGAPAGQQPY-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.97
Rot. Bonds7

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

5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one (PubChem CID 106548510) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one
PubChem CID106548510
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one
SMILESCCCNC(Cn1ncc(C)cc1=O)C(C)CC
InChIInChI=1S/C14H25N3O/c1-5-7-15-13(12(4)6-2)10-17-14(18)8-11(3)9-16-17/h8-9,12-13,15H,5-7,10H2,1-4H3
InChIKeyRQMGYGAPAGQQPY-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.97
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
2-[2-[(3-Methylcyclohexyl)amino]ethyl]pyridazin-3-one
CID 55126873
2-[2-[(2-Methylcyclohexyl)amino]ethyl]pyridazin-3-one
CID 55126876
2-[2-(5-Methylhexan-2-ylamino)ethyl]pyridazin-3-one
CID 62848568
2-[2-(1-Cyclopropylethylamino)ethyl]pyridazin-3-one
CID 62848570
2-[2-(Pentan-2-ylamino)ethyl]pyridazin-3-one
CID 62849803
2-[2-(Propylamino)pentyl]pyridazin-3-one
CID 62849954
2-[2-(Ethylamino)pentyl]pyridazin-3-one
CID 62849955
2-[2-(Methylamino)pentyl]pyridazin-3-one
CID 62849956
2-[2-(3-Methylbutylamino)ethyl]pyridazin-3-one
CID 62849982
2-[2-(4-Methylpentylamino)ethyl]pyridazin-3-one
CID 62850695

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one (CID 106548510) is 5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one is CCCNC(Cn1ncc(C)cc1=O)C(C)CC.
What is the InChIKey of 5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one?
The InChIKey is RQMGYGAPAGQQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-15-13(12(4)6-2)10-17-14(18)8-11(3)9-16-17/h8-9,12-13,15H,5-7,10H2,1-4H3.
What are the key properties of 5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one?
5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one has a molecular weight of 251.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-methyl-2-(propylamino)pentyl]pyridazin-3-one is sourced from PubChem (CID 106548510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).