2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one

C13H23N3O2 — CID 103221659

IUPAC2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C13H23N3O2/c1-10(2)8-14-11-7-12(17)16(15-9-11)6-5-13(3,4)18/h7,9-10,14,18H,5-6,8H2,1-4H3
InChIKeyMEESXOFAMULSIA-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.47
Rot. Bonds6

About 2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one

2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one (PubChem CID 103221659) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one
PubChem CID103221659
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C13H23N3O2/c1-10(2)8-14-11-7-12(17)16(15-9-11)6-5-13(3,4)18/h7,9-10,14,18H,5-6,8H2,1-4H3
InChIKeyMEESXOFAMULSIA-UHFFFAOYSA-N
XLogP1.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
5-Amino-2-(2-methylbutyl)pyridazin-3-one
CID 103218224
5-Amino-2-(3-methylbutyl)pyridazin-3-one
CID 103218247
5-Amino-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103218313
5-Amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103218372
2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide
CID 103218399
5-Amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103218417
5-(Methylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 103218450
5-(Methylamino)-2-(2-methylbutyl)pyridazin-3-one
CID 103218501
5-(Methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
2-(3-Hydroxypropyl)-5-(methylamino)pyridazin-3-one
CID 103218540
2-(3,3-Dimethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218576

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one (CID 103221659) is 2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one is CC(C)CNc1cnn(CCC(C)(C)O)c(=O)c1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one?
The InChIKey is MEESXOFAMULSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)8-14-11-7-12(17)16(15-9-11)6-5-13(3,4)18/h7,9-10,14,18H,5-6,8H2,1-4H3.
What are the key properties of 2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one?
2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one is sourced from PubChem (CID 103221659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).