azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone

C14H12ClN3OS — CID 71867029

IUPACazetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone
SMILESO=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCC1
InChIInChI=1S/C14H12ClN3OS/c15-10-4-1-2-5-12(10)20-13-7-6-11(16-17-13)14(19)18-8-3-9-18/h1-2,4-7H,3,8-9H2
InChIKeyUXONPTMTUXAMJA-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.13
Rot. Bonds3

About azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone

azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone (PubChem CID 71867029) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone
PubChem CID71867029
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Nameazetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone
SMILESO=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCC1
InChIInChI=1S/C14H12ClN3OS/c15-10-4-1-2-5-12(10)20-13-7-6-11(16-17-13)14(19)18-8-3-9-18/h1-2,4-7H,3,8-9H2
InChIKeyUXONPTMTUXAMJA-UHFFFAOYSA-N
XLogP3.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-(1,4-diazepan-1-yl)methanone
CID 119417617
[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492330
[2-(aminomethyl)pyrrolidin-1-yl]-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone;hydrochloride
CID 119633725
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
azepan-1-yl-(6-phenylpyridazin-3-yl)methanone
CID 113200597
6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide
CID 102562430
6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide
CID 119513560
N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride
CID 119498507
(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone
CID 113200325
4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119357320
6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride
CID 120557782
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone?
The IUPAC name of azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone (CID 71867029) is azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone?
The canonical SMILES for azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone is O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone?
The InChIKey is UXONPTMTUXAMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c15-10-4-1-2-5-12(10)20-13-7-6-11(16-17-13)14(19)18-8-3-9-18/h1-2,4-7H,3,8-9H2.
What are the key properties of azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone?
azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone has a molecular weight of 305.79 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone is sourced from PubChem (CID 71867029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).