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

C10H16ClN3O2 — CID 115681090

IUPAC4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC(C)(C)CCO)c(Cl)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-10(2,4-5-15)13-7-6-12-14(3)9(16)8(7)11/h6,13,15H,4-5H2,1-3H3
InChIKeyMXYBCSPPTXXJGY-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.01
Rot. Bonds4

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

4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one (PubChem CID 115681090) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one
PubChem CID115681090
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC(C)(C)CCO)c(Cl)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-10(2,4-5-15)13-7-6-12-14(3)9(16)8(7)11/h6,13,15H,4-5H2,1-3H3
InChIKeyMXYBCSPPTXXJGY-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.01
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-(2-methylpropyl)pyridazin-3-one
CID 114443172
4-chloro-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844
4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114446864
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
CID 103525314
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
CID 47174554
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one
CID 115682887
5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114445572
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazin-3-one
CID 106177808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one (CID 115681090) is 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one is 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-methylpyridazin-3-one?
The InChIKey is MXYBCSPPTXXJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-10(2,4-5-15)13-7-6-12-14(3)9(16)8(7)11/h6,13,15H,4-5H2,1-3H3.
What are the key properties of 4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one?
4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one has a molecular weight of 245.71 g/mol, XLogP of 1.01, 4 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-methylpyridazin-3-one is sourced from PubChem (CID 115681090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).