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

C12H21N3O2 — CID 103220306

IUPAC2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C12H21N3O2/c1-4-6-13-10-8-11(16)15(14-9-10)7-5-12(2,3)17/h8-9,13,17H,4-7H2,1-3H3
InChIKeyBYUCBPAGNJLEOU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.23
Rot. Bonds6

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

2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one (PubChem CID 103220306) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
PubChem CID103220306
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C12H21N3O2/c1-4-6-13-10-8-11(16)15(14-9-10)7-5-12(2,3)17/h8-9,13,17H,4-7H2,1-3H3
InChIKeyBYUCBPAGNJLEOU-UHFFFAOYSA-N
XLogP1.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-6-[6-oxo-4-(propylamino)pyridazin-1-yl]hexanenitrile
CID 106714923
2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one
CID 103220314
2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one
CID 103220259
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220165
2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 107067014
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220089
N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide
CID 103220247
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
N-cyclopropyl-N-ethyl-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide
CID 103220253
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220377
4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile
CID 103220340

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one (CID 103220306) is 2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CCC(C)(C)O)c(=O)c1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is BYUCBPAGNJLEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-13-10-8-11(16)15(14-9-10)7-5-12(2,3)17/h8-9,13,17H,4-7H2,1-3H3.
What are the key properties of 2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one?
2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 1.23, 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-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).