4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one

C9H12ClN3OS — CID 103704352

IUPAC4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one
SMILESCn1ncc(NC2CCSC2)c(Cl)c1=O
InChIInChI=1S/C9H12ClN3OS/c1-13-9(14)8(10)7(4-11-13)12-6-2-3-15-5-6/h4,6,12H,2-3,5H2,1H3
InChIKeyXLKUSQACKZEUHS-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.35
Rot. Bonds2

About 4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one

4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one (PubChem CID 103704352) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one
PubChem CID103704352
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC Name4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one
SMILESCn1ncc(NC2CCSC2)c(Cl)c1=O
InChIInChI=1S/C9H12ClN3OS/c1-13-9(14)8(10)7(4-11-13)12-6-2-3-15-5-6/h4,6,12H,2-3,5H2,1H3
InChIKeyXLKUSQACKZEUHS-UHFFFAOYSA-N
XLogP1.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223
4-chloro-2-propan-2-yl-5-(thian-3-ylamino)pyridazin-3-one
CID 114442995
4-chloro-5-(thiolan-3-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 103063561
4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
CID 121476455
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
4-chloro-5-[(1-ethylpiperidin-4-yl)amino]-2-methylpyridazin-3-one
CID 113220917
4-chloro-2-methyl-5-[[(5S,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridazin-3-one
CID 97324839
4-chloro-2-methyl-5-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridazin-3-one
CID 97324840
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
CID 115611041
4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one
CID 114443011
4-chloro-5-[(1,1-dioxothian-3-yl)amino]-2-methylpyridazin-3-one
CID 115657637

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one (CID 103704352) is 4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one is Cn1ncc(NC2CCSC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one?
The InChIKey is XLKUSQACKZEUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c1-13-9(14)8(10)7(4-11-13)12-6-2-3-15-5-6/h4,6,12H,2-3,5H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one?
4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one has a molecular weight of 245.73 g/mol, XLogP of 1.35, 2 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-(thiolan-3-ylamino)pyridazin-3-one is sourced from PubChem (CID 103704352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).