2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one

C14H25N3O — CID 106548540

IUPAC2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one
SMILESCCCNC(Cn1ncc(C)cc1=O)C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-6-7-15-12(14(3,4)5)10-17-13(18)8-11(2)9-16-17/h8-9,12,15H,6-7,10H2,1-5H3
InChIKeyGWIASTKOLYXZGH-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.97
Rot. Bonds5

About 2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one

2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one (PubChem CID 106548540) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one
PubChem CID106548540
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one
SMILESCCCNC(Cn1ncc(C)cc1=O)C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-6-7-15-12(14(3,4)5)10-17-13(18)8-11(2)9-16-17/h8-9,12,15H,6-7,10H2,1-5H3
InChIKeyGWIASTKOLYXZGH-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

2-[3,3-Dimethyl-2-(methylamino)butyl]pyridazin-3-one
CID 62848545
2-[2-(Butan-2-ylamino)ethyl]pyridazin-3-one
CID 62848750
2-[2-(2-Methylbutan-2-ylamino)ethyl]pyridazin-3-one
CID 62848919
2-[2-(Ethylamino)-3,3-dimethylbutyl]pyridazin-3-one
CID 62849594
2-[2-(Pentan-2-ylamino)ethyl]pyridazin-3-one
CID 62849803
2-[2-(3-Methylbutylamino)ethyl]pyridazin-3-one
CID 62849982
2-(2-Amino-3,3-dimethylbutyl)pyridazin-3-one
CID 62850133
2-[2-(Propylamino)butyl]pyridazin-3-one
CID 62850486
2-[2-(Ethylamino)butyl]pyridazin-3-one
CID 62850487
2-[2-(Methylamino)butyl]pyridazin-3-one
CID 62850488
2-[3,3-Dimethyl-2-(propylamino)butyl]pyridazin-3-one
CID 62850844
2-[2-(3,3-Dimethylbutylamino)ethyl]pyridazin-3-one
CID 62850873

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one (CID 106548540) is 2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one is CCCNC(Cn1ncc(C)cc1=O)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one?
The InChIKey is GWIASTKOLYXZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-7-15-12(14(3,4)5)10-17-13(18)8-11(2)9-16-17/h8-9,12,15H,6-7,10H2,1-5H3.
What are the key properties of 2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one?
2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one has a molecular weight of 251.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).