4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one

C13H21ClN4O — CID 121476463

IUPAC4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
SMILESCCn1ncc(NC2CCCCN(C)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-3-18-13(19)12(14)11(8-15-18)16-10-6-4-5-7-17(2)9-10/h8,10,16H,3-7,9H2,1-2H3
InChIKeyQRSGFCIBFDURJI-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.81
Rot. Bonds3

About 4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one

4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one (PubChem CID 121476463) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
PubChem CID121476463
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
SMILESCCn1ncc(NC2CCCCN(C)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-3-18-13(19)12(14)11(8-15-18)16-10-6-4-5-7-17(2)9-10/h8,10,16H,3-7,9H2,1-2H3
InChIKeyQRSGFCIBFDURJI-UHFFFAOYSA-N
XLogP1.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
4-chloro-2-ethyl-5-[(4-ethylcyclohexyl)amino]pyridazin-3-one
CID 114435432
4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one
CID 114434740
4-chloro-5-[(1,3-dimethylpiperidin-4-yl)amino]-2-ethylpyridazin-3-one
CID 114504703
4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one
CID 114443011
methyl 2-[5-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-6-oxopyridazin-1-yl]acetate
CID 114435307
4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440472
5-[(2-aminocycloheptyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114444887
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
CID 121476455
4-chloro-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191860
4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
CID 114437060

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one (CID 121476463) is 4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one is CCn1ncc(NC2CCCCN(C)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one?
The InChIKey is QRSGFCIBFDURJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-18-13(19)12(14)11(8-15-18)16-10-6-4-5-7-17(2)9-10/h8,10,16H,3-7,9H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one?
4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 121476463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).