5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one

C11H19ClN4O — CID 114446864

IUPAC5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one
SMILESCC(C)C(C)(CN)Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-7(2)11(3,6-13)15-8-5-14-16(4)10(17)9(8)12/h5,7,15H,6,13H2,1-4H3
InChIKeyFZTGLLCGRHJQDD-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.22
Rot. Bonds4

About 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one

5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one (PubChem CID 114446864) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one
PubChem CID114446864
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one
SMILESCC(C)C(C)(CN)Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-7(2)11(3,6-13)15-8-5-14-16(4)10(17)9(8)12/h5,7,15H,6,13H2,1-4H3
InChIKeyFZTGLLCGRHJQDD-UHFFFAOYSA-N
XLogP1.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one
CID 114446870
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446863
4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one
CID 115681090
5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114445572
4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
CID 102698939
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446884
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-bromo-2-prop-2-enylpyridazin-3-one
CID 114446868
4-chloro-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one
CID 12919579
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
CID 114444517

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one (CID 114446864) is 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one is CC(C)C(C)(CN)Nc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is FZTGLLCGRHJQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-7(2)11(3,6-13)15-8-5-14-16(4)10(17)9(8)12/h5,7,15H,6,13H2,1-4H3.
What are the key properties of 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one?
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 258.75 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 114446864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).