4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one

C13H22ClN3O2 — CID 114443172

IUPAC4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC(C)(C)CCO)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O2/c1-9(2)8-17-12(19)11(14)10(7-15-17)16-13(3,4)5-6-18/h7,9,16,18H,5-6,8H2,1-4H3
InChIKeyXIAWPFFYUSSGLY-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.13
Rot. Bonds6

About 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114443172) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114443172
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC(C)(C)CCO)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O2/c1-9(2)8-17-12(19)11(14)10(7-15-17)16-13(3,4)5-6-18/h7,9,16,18H,5-6,8H2,1-4H3
InChIKeyXIAWPFFYUSSGLY-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one
CID 115681090
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one
CID 106149013
4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114440326
4-chloro-5-[2-(2-hydroxyethyl)pentylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106115759
4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114435007
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438260
4-chloro-5-[(2-methyl-3-methylsulfanylpropyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114438330

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one (CID 114443172) is 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NC(C)(C)CCO)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is XIAWPFFYUSSGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-9(2)8-17-12(19)11(14)10(7-15-17)16-13(3,4)5-6-18/h7,9,16,18H,5-6,8H2,1-4H3.
What are the key properties of 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 287.79 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114443172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).