4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one

C9H15N3O2 — CID 114392475

IUPAC4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
SMILESCC(CO)C(C)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O2/c1-6(5-13)7(2)11-8-3-9(14)12-10-4-8/h3-4,6-7,13H,5H2,1-2H3,(H2,11,12,14)
InChIKeyUEGGKJBHFIZZBE-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.20
Rot. Bonds4

About 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one

4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one (PubChem CID 114392475) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
PubChem CID114392475
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
SMILESCC(CO)C(C)Nc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O2/c1-6(5-13)7(2)11-8-3-9(14)12-10-4-8/h3-4,6-7,13H,5H2,1-2H3,(H2,11,12,14)
InChIKeyUEGGKJBHFIZZBE-UHFFFAOYSA-N
XLogP0.20
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-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

4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one
CID 114391952
4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392355
4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392438
4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one
CID 114392071
4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
CID 114392237
methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
CID 114392106
5-bromo-4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114386278
4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114392507
4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
4-(3-hydroxypropylamino)-1H-pyridazin-6-one
CID 114391926
4-(2-methylhydrazinyl)-1H-pyridazin-6-one
CID 142128565

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one (CID 114392475) is 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one is CC(CO)C(C)Nc1cn[nH]c(=O)c1.
What is the InChIKey of 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one?
The InChIKey is UEGGKJBHFIZZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(5-13)7(2)11-8-3-9(14)12-10-4-8/h3-4,6-7,13H,5H2,1-2H3,(H2,11,12,14).
What are the key properties of 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one?
4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 114392475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).