2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one

C13H23N3O2 — CID 103219580

IUPAC2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCOC(C)(C)CCn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C13H23N3O2/c1-10(2)15-11-8-12(17)16(14-9-11)7-6-13(3,4)18-5/h8-10,15H,6-7H2,1-5H3
InChIKeyKJGUYFVCGKXUIJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.88
Rot. Bonds6

About 2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one

2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219580) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219580
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCOC(C)(C)CCn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C13H23N3O2/c1-10(2)15-11-8-12(17)16(14-9-11)7-6-13(3,4)18-5/h8-10,15H,6-7H2,1-5H3
InChIKeyKJGUYFVCGKXUIJ-UHFFFAOYSA-N
XLogP1.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Propan-2-ylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219562
5-Amino-2-(3-methoxypropyl)pyridazin-3-one
CID 103218207
5-Amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103218372
5-Amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103218417
2-(4-Methoxybutyl)-5-(methylamino)pyridazin-3-one
CID 103218482
2-(3-Methoxypropyl)-5-(methylamino)pyridazin-3-one
CID 103218485
5-(Methylamino)-2-(2-methylbutyl)pyridazin-3-one
CID 103218501
5-(Methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
2-Butyl-5-(methylamino)pyridazin-3-one
CID 103218555
2-(3,3-Dimethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218576
2-(2-Ethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218589
2-(3-Hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218690

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 103219580) is 2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one is COC(C)(C)CCn1ncc(NC(C)C)cc1=O.
What is the InChIKey of 2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is KJGUYFVCGKXUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)15-11-8-12(17)16(14-9-11)7-6-13(3,4)18-5/h8-10,15H,6-7H2,1-5H3.
What are the key properties of 2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).