4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one

C11H16ClN3O2 — CID 115579991

IUPAC4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
SMILESCC(Nc1cnn(C)c(=O)c1Cl)C1CCCO1
InChIInChI=1S/C11H16ClN3O2/c1-7(9-4-3-5-17-9)14-8-6-13-15(2)11(16)10(8)12/h6-7,9,14H,3-5H2,1-2H3
InChIKeyBTWGUSIVNOWQSY-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.41
Rot. Bonds3

About 4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one

4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one (PubChem CID 115579991) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
PubChem CID115579991
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
SMILESCC(Nc1cnn(C)c(=O)c1Cl)C1CCCO1
InChIInChI=1S/C11H16ClN3O2/c1-7(9-4-3-5-17-9)14-8-6-13-15(2)11(16)10(8)12/h6-7,9,14H,3-5H2,1-2H3
InChIKeyBTWGUSIVNOWQSY-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114433352
4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114433366
4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433364
4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-prop-2-enylpyridazin-3-one
CID 114433350
4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one
CID 115624779
4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine
CID 82236284
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
5-chloro-2-(cyclobutylmethyl)-4-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433355
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
4-chloro-5-[1-(oxolan-3-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114443415
4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one
CID 115613233
4-chloro-5-[(2-hydroxycyclohexyl)amino]-2-methylpyridazin-3-one
CID 115611062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one (CID 115579991) is 4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one is CC(Nc1cnn(C)c(=O)c1Cl)C1CCCO1.
What is the InChIKey of 4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one?
The InChIKey is BTWGUSIVNOWQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(9-4-3-5-17-9)14-8-6-13-15(2)11(16)10(8)12/h6-7,9,14H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one?
4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one has a molecular weight of 257.72 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 115579991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).