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

C10H17N3O2 — CID 103218690

IUPAC2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-10(2,15)4-5-13-9(14)6-8(11-3)7-12-13/h6-7,11,15H,4-5H2,1-3H3
InChIKeyVFMMPNPSGFYIFX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.45
Rot. Bonds4

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

2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one (PubChem CID 103218690) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
PubChem CID103218690
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-10(2,15)4-5-13-9(14)6-8(11-3)7-12-13/h6-7,11,15H,4-5H2,1-3H3
InChIKeyVFMMPNPSGFYIFX-UHFFFAOYSA-N
XLogP0.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
5-Amino-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103218313
5-Amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103218372
5-Amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103218417
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-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-2-methylpropyl)-5-(methylamino)pyridazin-3-one
CID 103218601
5-(Methylamino)-2-(4-methylpentyl)pyridazin-3-one
CID 103218698

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one (CID 103218690) is 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one is CNc1cnn(CCC(C)(C)O)c(=O)c1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is VFMMPNPSGFYIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,15)4-5-13-9(14)6-8(11-3)7-12-13/h6-7,11,15H,4-5H2,1-3H3.
What are the key properties of 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one?
2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.45, 4 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-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).